Isopropyl (2-(thiazol-4-yl)-1H-benzimidazol-5-yl)carbamate monohydrochloride
Basic information
- CAS
76345-76-1- Standard SMILES
CC(C)OC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1.Cl- InChIKey
KHOHHQHXCWDDFA-UHFFFAOYSA-N- Molecular formula
- C14H15ClN4O2S
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.0604246
Names & identifiers
- Preferred name
- Isopropyl (2-(thiazol-4-yl)-1H-benzimidazol-5-yl)carbamate monohydrochloride
- IUPAC
- propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;hydrochloride
Names & synonyms
76345-76-1EINECS 278-424-2Isopropyl (2-(thiazol-4-yl)-1H-benzimidazol-5-yl)carbamate monohydrochlorideDTXSID00997709KHOHHQHXCWDDFA-UHFFFAOYSA-NNS00089479Propan-2-yl hydrogen [2-(1,3-thiazol-4-yl)-1H-1,3-benzimidazol-6-yl]carbonimidate--hydrogen chloride (1/1)Propan-2-yl hydrogen [2-(1,3-thiazol-4-yl)-1H-benzimidazol-6-yl]carbonimidate--hydrogen chloride (1/1)
Database identifiers
- CAS
76345-76-1- PubChem CID
- 3018652
- DTXSID
DTXSID00997709- EC Number
- 278-424-2
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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