| CAS Number | 1219827-94-7 |
| Catalog Number | AG01AQTF |
| Chemical Name | 2-cyclopropaneamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid |
| IUPAC Name | 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid |
| InChI | InChI=1S/C12H14N2O3S/c15-10(6-4-5-6)14-12-13-9-7(11(16)17)2-1-3-8(9)18-12/h6-7H,1-5H2,(H,16,17)(H,13,14,15) |
| InChI Key | SFGXNUNGIRTMBA-UHFFFAOYSA-N |
| MDL Number | MFCD16653323 |
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.3162 |
| SMILES | OC(C1C2=C(SC(=N2)NC(C2CC2)=O)CCC1)=O |
| Synonyms | AKOS015957283,
F2158-1576,
2-cyclopropaneamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid,
2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid,
1219827-94-7,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.315g/mol |
| Monoisotopic Mass | 266.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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