| CAS Number | 929974-98-1 |
| Catalog Number | AG019KMD(AGN-PC-0WODL0) |
| Chemical Name | methyl 4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C9H9N3O2S/c1-14-8(13)6-2-5(3-11-6)7-4-15-9(10)12-7/h2-4,11H,1H3,(H2,10,12) |
| InChI Key | KCDWYVQFWMKJFN-UHFFFAOYSA-N |
| MDL Number | MFCD09376370 |
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.2517 |
| SMILES | COC(C1NC=C(C2N=C(N)SC=2)C=1)=O |
| Synonyms | methyl 4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylate,
929974-98-1,
AC1Q42YP,
CTK6I8065,
ZINC12505544,
AKOS000117930,
MCULE-3423965531,
NE21371,
EN300-27481,
AB00774988-01,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.25g/mol |
| Monoisotopic Mass | 223.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number