| CAS Number | 913186-74-0 |
| Catalog Number | AG00H0AY(AGN-PC-00IVMY) |
| Chemical Name | [2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienylmethanone |
| IUPAC Name | [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone |
| InChI | InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18) |
| InChI Key | PEAMDZVDNYENPN-UHFFFAOYSA-N |
| MDL Number | MFCD19690940 |
| Molecular Formula | C15H11FN2OS2 |
| Molecular Weight | 318.3890 |
| SMILES | FC1=CC=C(C=C1)NC=1SC(=C(N1)C)C(=O)C1=CSC=C1 |
| Synonyms | LY 2087101,
913186-74-0,
LY-2087101,
[2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienylmethanone,
LY2087101,
GTPL3992,
SCHEMBL17693388,
ZINC72283454,
AKOS024457999,
[2-(4-Fluoro-phenylamino)-4-methyl-thiazol-5-yl]-thiophen-3-yl-methanone,
[2-(4-fluorophenylamino)-4-methyl-thiazol-5-yl]-thiophen-3-yl-methanone,
Methanone, (2-((4-fluorophenyl)amino)-4-methyl-5-thiazolyl)-3-thienyl-,
N-(4-fluorophenyl)-4-methyl-5-[(thiophen-3-yl)carbonyl]-1,3-thiazol-2-amine,
D04MIG,
PEAMDZVDNYENPN-UHFFFAOYSA-N,
CID11964458,
[2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl]-thiophen-3-yl-methanone,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.384g/mol |
| Monoisotopic Mass | 318.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number