Basic information
- CAS
41808-42-8- Standard SMILES
CC(C)c1nsc(N)c1C(N)=O- InChIKey
XHGVDHOYORGAQN-UHFFFAOYSA-N- Molecular formula
- C7H11N3OS
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.06228316
Names & identifiers
- Preferred name
- 5-Amino-3-isopropylisothiazole-4-carboxamide
- IUPAC
- 5-amino-3-propan-2-yl-1,2-thiazole-4-carboxamide
Names & synonyms
41808-42-85-AMINO-3-ISOPROPYLISOTHIAZOLE-4-CARBOXAMIDE4-Isothiazolecarboxamide, 5-amino-3-(1-methylethyl)-NSC287100CA2449PK8MNSC-287100NSC 287100UNII-CA2449PK8M5-amino-3-(propan-2-yl)-1,2-thiazole-4-carboxamideDTXSID701946225-amino-3-isopropyl-isothiazole-4-carboxamide5-AMINO-3-(1-METHYLETHYL)-4-ISOTHIAZOLECARBOXAMIDE
Database identifiers
- CAS
41808-42-8- PubChem CID
- 323918
- DTXSID
DTXSID70194622- UNII
- CA2449PK8M
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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