| CAS Number | 1327366-67-5 |
| Catalog Number | AG01BD08 |
| Chemical Name | Methyl 4H-pyrrolo[2,3-d]thiazole-5-carboxylate |
| IUPAC Name | methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate |
| InChI | InChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3 |
| InChI Key | NNMYQMZSIGPQHV-UHFFFAOYSA-N |
| MDL Number | MFCD24618438 |
| Molecular Formula | C7H6N2O2S |
| Molecular Weight | 182.1997 |
| SMILES | COC(C1NC2=C(SC=N2)C=1)=O |
| Synonyms | methyl 4H-pyrrolo[2,3-d]thiazole-5-carboxylate,
1327366-67-5,
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate,
SCHEMBL2332001,
NNMYQMZSIGPQHV-UHFFFAOYSA-N,
ZINC96300635,
AKOS027441157,
Z2469657470,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.197g/mol |
| Monoisotopic Mass | 182.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number