Basic information
- CAS
49850-29-5- Standard SMILES
CC(C)OC(=O)Nc1ccc2c(c1)nc(-c1cscn1)n2N- InChIKey
MYRUZKJTCIHITF-UHFFFAOYSA-N- Molecular formula
- C14H15N5O2S
- Average molar mass
- 317.37 g/mol
- Monoisotopic mass
- 317.09464591
Names & identifiers
- Preferred name
- 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester
- IUPAC
- propan-2-yl N-[1-amino-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]carbamate
Names & synonyms
5-BENZIMIDAZOLECARBAMIC ACID, 1-AMINO-2-(4-THIAZOLYL)-, ISOPROPYL ESTER49850-29-5BRN 1033050Carbamic acid, (1-amino-2(4-thiazolyl)-1H-benzimidazol-5-yl)-1-Amino-2-(4-thiazolyl)-5-benzimidazolecarbamic acid isopropyl esterSCHEMBL3499770DTXSID10198124Propan-2-yl [1-amino-2-(1,3-thiazol-4-yl)-1H-1,3-benzimidazol-5-yl]carbamate
Database identifiers
- CAS
49850-29-5- PubChem CID
- 39557
- DTXSID
DTXSID10198124- Nikkaji
- J69.190I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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