| CAS Number | 954564-61-5 |
| Catalog Number | AG019UHT |
| Chemical Name | 2-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H12N2O2S/c1-7-3-4-8(2)13(7)11-12-9(6-16-11)5-10(14)15/h3-4,6H,5H2,1-2H3,(H,14,15) |
| InChI Key | NKTLWAFEJJIOJB-UHFFFAOYSA-N |
| MDL Number | MFCD09740169 |
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.2902 |
| SMILES | CC1N(C2SC=C(CC(O)=O)N=2)C(C)=CC=1 |
| Synonyms | 2-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid,
954564-61-5,
AC1Q2JK8,
CTK7J2510,
ZINC22223596,
AKOS000146083,
MCULE-3007052205,
EN300-41722,
AB01000138-01,
Z425484922,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.289g/mol |
| Monoisotopic Mass | 236.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number