| CAS Number | 864437-22-9 |
| Catalog Number | AG00IE2K(AGN-PC-00YTZV) |
| Chemical Name | Methyl 2-amino-5-5-isobutylthiazole-4-carboxylate |
| IUPAC Name | methyl 2-amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C9H14N2O2S/c1-5(2)4-6-7(8(12)13-3)11-9(10)14-6/h5H,4H2,1-3H3,(H2,10,11) |
| InChI Key | ITSRZQHYKKOAEW-UHFFFAOYSA-N |
| MDL Number | MFCD08064693 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | COC(C1=C(CC(C)C)SC(N)=N1)=O |
| Synonyms | 864437-22-9,
methyl 2-amino-5-isobutylthiazole-4-carboxylate,
methyl 2-amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate,
methyl 2-amino-5-isobutyl-1,3-thiazole-4-carboxylate,
SCHEMBL3066792,
ALBB-030767,
KS-000030FI,
ZINC8762637,
BBL030901,
MFCD08064693,
STL352133,
AKOS005079497,
MCULE-8025360189,
Methyl 2-amino-5-5-isobutylthiazole-4-carboxylate,
11X-0920,
4-Thiazolecarboxylic acid, 2-amino-5-(2-methylpropyl)-, methyl ester,
C9H14N2O2S,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^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
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