| CAS Number | 1283108-40-6 |
| Catalog Number | AG01APPR |
| Chemical Name | 2-[(pyridin-3-yl)amino]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2S/c13-8(14)7-5-15-9(12-7)11-6-2-1-3-10-4-6/h1-5H,(H,11,12)(H,13,14) |
| InChI Key | DAVHHVODAQQKNH-UHFFFAOYSA-N |
| MDL Number | MFCD21091741 |
| Molecular Formula | C9H7N3O2S |
| Molecular Weight | 221.2358 |
| SMILES | OC(C1N=C(NC2=CN=CC=C2)SC=1)=O |
| Synonyms | 1283108-40-6,
2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid,
2-[(pyridin-3-yl)amino]-1,3-thiazole-4-carboxylic acid,
2-(Pyridin-3-ylamino)-thiazole-4-carboxylic acid,
2-(3-Pyridylamino)-1,3-thiazole-4-carboxylic acid, 95%,
SCHEMBL525526,
KS-00003QHD,
DAVHHVODAQQKNH-UHFFFAOYSA-N,
MFCD21091741,
ZINC61957856,
AKOS015958041,
MCULE-4039219989,
MS-9630,
2-(3-Pyridylamino)-1,3-thiazole-4-carboxylic acid,
F2145-0319,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.234g/mol |
| Monoisotopic Mass | 221.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number