| CAS Number | 1394042-51-3 |
| Catalog Number | AG019ZB0 |
| Chemical Name | 2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C13H11NO2S/c15-13(16)11-10(8-4-2-1-3-5-8)14-12(17-11)9-6-7-9/h1-5,9H,6-7H2,(H,15,16) |
| InChI Key | LTEWOOZGTYKUIH-UHFFFAOYSA-N |
| MDL Number | MFCD22378582 |
| Molecular Formula | C13H11NO2S |
| Molecular Weight | 245.2969 |
| SMILES | OC(C1=C(C2=CC=CC=C2)N=C(C2CC2)S1)=O |
| Synonyms | 2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxylic acid,
1394042-51-3,
SCHEMBL20027736,
ZINC78210620,
AKOS018673237,
MCULE-8213228515,
NE47561,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.296g/mol |
| Monoisotopic Mass | 245.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number