| CAS Number | 17899-57-9 |
| Catalog Number | AG00HZX6 |
| Chemical Name | 5-benzoyl-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine |
| IUPAC Name | (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-phenylmethanone |
| InChI | InChI=1S/C13H13N3OS/c14-13-15-10-6-7-16(8-11(10)18-13)12(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,14,15) |
| InChI Key | YTQJRKQYVDFSGS-UHFFFAOYSA-N |
| MDL Number | MFCD10010952 |
| Molecular Formula | C13H13N3OS |
| Molecular Weight | 259.3268 |
| SMILES | NC(S1)=NC2=C1CN(C(C3=CC=CC=C3)=O)CC2 |
| Synonyms | 17899-57-9,
5-Benzoyl-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine,
ZINC19961815,
AKOS015948278,
MCULE-7379588129,
YTQJRKQYVDFSGS-UHFFFAOYSA-N,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.327g/mol |
| Monoisotopic Mass | 259.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number