| CAS Number | 41808-40-6 |
| Catalog Number | AG00C9U6(AGN-PC-0WNJLQ) |
| Chemical Name | 5-Amino-3-methylisothiazole-4-carboxamide |
| IUPAC Name | 5-amino-3-methyl-1,2-thiazole-4-carboxamide |
| InChI | InChI=1S/C5H7N3OS/c1-2-3(4(6)9)5(7)10-8-2/h7H2,1H3,(H2,6,9) |
| InChI Key | POWWAPJPGLAMHL-UHFFFAOYSA-N |
| MDL Number | MFCD03001431 |
| Molecular Formula | C5H7N3OS |
| Molecular Weight | 157.1936 |
| SMILES | CC1C(C(N)=O)=C(N)SN=1 |
| Synonyms | 41808-40-6,
5-AMINO-3-METHYLISOTHIAZOLE-4-CARBOXAMIDE,
5-amino-3-methyl-1,2-thiazole-4-carboxamide,
5-Amino-3-methyl-isothiazole-4-carboxylic acid amide,
4-Isothiazolecarboxamide, 5-amino-3-methyl-,
SCHEMBL3863859,
CTK1D3628,
DTXSID20482642,
POWWAPJPGLAMHL-UHFFFAOYSA-N,
MFCD03001431,
ZINC39191804,
AKOS022635648,
AS-5609,
KS-00003H46,
5-Amino-3-methylisothiazole-4-carboxylic acid amide,
Z1741981846,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.191g/mol |
| Monoisotopic Mass | 157.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number