| CAS Number | 1354958-03-4 |
| Catalog Number | AG019S0G(AGN-PC-0WO85I) |
| Chemical Name | 2-(Cyclopropylamino)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12-5)9-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11) |
| InChI Key | XBDIVKWPKGCLKB-UHFFFAOYSA-N |
| MDL Number | MFCD20441724 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | OC(C1SC(NC2CC2)=NC=1)=O |
| Synonyms | 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid,
1354958-03-4,
SCHEMBL4258285,
XBDIVKWPKGCLKB-UHFFFAOYSA-N,
STL301975,
ZINC71373496,
AKOS015997000,
MCULE-3056602062,
NE16617,
EN300-91319,
2-(cyclopropylamino)thiazole-5-carboxylic acid,
Z1262691678,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number