| CAS Number | 1082130-43-5 |
| Catalog Number | AG00928V |
| Chemical Name | 2-Isobutyramidothiazole-4-carboxylic acid |
| IUPAC Name | 2-(2-methylpropanoylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3S/c1-4(2)6(11)10-8-9-5(3-14-8)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11) |
| InChI Key | YRPSGBQFMYQIMZ-UHFFFAOYSA-N |
| MDL Number | MFCD11564857 |
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.2416 |
| SMILES | CC(C)C(=O)NC1=NC(=CS1)C(O)=O |
| Synonyms | 1082130-43-5,
2-Isobutyramidothiazole-4-carboxylic acid,
2-Isobutyrylamino-thiazole-4-carboxylic acid,
2-(Isobutyramido)thiazole-4-carboxylic acid,
SCHEMBL7906267,
MFCD11564857,
ZINC20332283,
AS-40884,
2-(2-Methylpropanoylamino)-4-thiazolecarboxylic acid,
2-(2-methylpropanamido)-1,3-thiazole-4-carboxylic acid,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.239g/mol |
| Monoisotopic Mass | 214.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number