| CAS Number | 472805-45-1 |
| Catalog Number | AG019SMP(AGN-PC-0WO41B) |
| Chemical Name | 2-Cyclopentyl-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H13NO2S/c1-6-8(10(12)13)14-9(11-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13) |
| InChI Key | WZSPRJATXFKXHP-UHFFFAOYSA-N |
| MDL Number | MFCD12807725 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | CC1=C(C(O)=O)SC(C2CCCC2)=N1 |
| Synonyms | 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylic acid,
472805-45-1,
SCHEMBL18114152,
ZINC37996355,
AKOS008143772,
MCULE-5885734090,
NE32029,
EN300-94327,
Z1270207964,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.0667g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.28g/mol |
| Monoisotopic Mass | 211.0667g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number