Thiazole
PubChem CID: 9256
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| Compound Synonyms | THIAZOLE, 288-47-1, 1,3-Thiazole, Thiazoles, FEMA No. 3615, CCRIS 3205, EINECS 206-021-3, 320RCW8PEF, BRN 0103852, CHEBI:43732, THIAZOLE [FHFI], THIAZOLE [MI], MFCD00005315, DTXSID2059776, 4-27-00-00960 (Beilstein Handbook Reference), thiazol, tz, UNII-320RCW8PEF, a thiazole, racemic thiazole, Thiazole-, Thiazole, 99%, 5H-1,3-thiazole, 1,3-Thiazole #, Thiazole, >=99%, CHEMBL15605, DTXCID4037875, CHEBI:48901, FEMA 3615, BCP27450, BBL027512, STL372725, AKOS005146301, CS-W001237, LOM, SY004510, CB7853436, DB-000360, NS00014391, T0185, EN300-22312, A819630, Q413426, 206-021-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | cnccs5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Azoles |
| Description | Flavouring ingredient The thiazole moiety is a crucial part of vitamin B1 (thiamine) and epothilone. Other important thiazoles are benzothiazoles, for example, the firefly chemical luciferin., Thiazole, or 1,3-thiazole, is a clear to pale yellow flammable liquid with a pyridine-like odor and the molecular formula C3H3NS. It is a 5-membered ring, in which two of the vertices of the ring are nitrogen and sulfur, and the other three are carbons., Thiazoles are a class of organic compounds related to azoles with a common thiazole functional group. Thiazoles are aromatic. |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Thiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P24557 |
| Iupac Name | 1,3-thiazole |
| Class | Azoles |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Thiazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H3NS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | FZWLAAWBMGSTSO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 1,3-Thiazole, 5H-1,3-thiazole, FEMA 3615, LOM, Photinus luciferin, TZ, tz, 5H-1,3-Thiazole, thiazole |
| Substituent Name | Heteroaromatic compound, Thiazole, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | cnc, csc |
| Compound Name | Thiazole |
| Kingdom | Organic compounds |
| Exact Mass | 84.9986 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.9986 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 85.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H |
| Smiles | C1=CSC=N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014 - 2. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655 - 3. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106 - 4. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245