4-(1,3-Benzothiazol-2-yl)-2-methylaniline
PubChem CID: 384525
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-(1,3-benzothiazol-2-yl)-2-methylaniline, 178804-04-1, 2-(4-amino-3-methylphenyl)benzothiazole, 4-Benzothiazol-2-yl-2-methyl-phenylamine, DF 203, DF-203, 4-(benzo[d]thiazol-2-yl)-2-methylaniline, Benzenamine, 4-(2-benzothiazolyl)-2-methyl-, NSC674495, NSC 674495, CHEMBL11825, MLS002702269, 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Benzothiazole, 2-(4-amino-3-methylphenyl)-, NSC-674495, BAS 06856403, cid_384525, SCHEMBL1326042, DTXSID30327656, HMS3433D11, BBL008089, BDBM50141278, CCG-35258, MFCD00950805, STK027735, AKOS000108517, NCI60_026383, PD011737, SMR001565831, VS-01825, 2-(4'-amino-3'-methylphenyl)benzothiazole, 4-Benzothiazol-2-yl-2-methyl-phenyl amine, 4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine, Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-, EN300-231774, SR-01000319885, [4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine, SR-01000319885-1, 4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine, BM8 |
|---|---|
| Topological Polar Surface Area | 67.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O15120, n.a., O75164, Q16236, O95149, P83916, P49798, P84022, O89049, O75496, P80244, P17405, P43220, Q9NUW8, Q13148, P55055 |
| Iupac Name | 4-(1,3-benzothiazol-2-yl)-2-methylaniline |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C14H12N2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDBCUMFOZBUJCL-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.524 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.457 |
| Compound Name | 4-(1,3-Benzothiazol-2-yl)-2-methylaniline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.072 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.072 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.399193376470588 |
| Inchi | InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3 |
| Smiles | CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all