| CAS Number | 1133115-46-4 |
| Catalog Number | AG003RMK(AGN-PC-07XU5T) |
| Chemical Name | Methyl 2-amino-4-(3-methoxyphenyl)thiazole-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(6-8)9-10(11(15)17-2)18-12(13)14-9/h3-6H,1-2H3,(H2,13,14) |
| InChI Key | BTNXPTWWAWUDRY-UHFFFAOYSA-N |
| MDL Number | MFCD11855865 |
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.3003 |
| SMILES | COc1cccc(c1)c1nc(sc1C(=O)OC)N |
| Synonyms | METHYL 2-AMINO-4-(3-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATE,
1133115-46-4,
ACMC-2099i5,
CTK4A8210,
DTXSID30674819,
ANW-16587,
MFCD11855865,
ZINC38537273,
AKOS015854650,
RTR-002542,
AJ-96029,
AX8229476,
ST2407134,
TR-002542,
Z7424,
A-4977,
I05-742,
methyl 2-amino-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylate,
C12H12N2O3S,
METHYL2-AMINO-4-(3-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATE,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.299g/mol |
| Monoisotopic Mass | 264.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number