1H-Benzimidazole-2-methanamine, N-(5-(propylsulfonyl)-1,3,4-thiadiazol-2-yl)-
Basic information
- CAS
93374-55-1- Standard SMILES
CCCS(=O)(=O)c1nnc(N(C)c2nc3ccccc3[nH]2)s1- InChIKey
WHRFIVUQEFRFPV-UHFFFAOYSA-N- Molecular formula
- C13H15N5O2S2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.06671709
Names & identifiers
- Preferred name
- 1H-Benzimidazole-2-methanamine, N-(5-(propylsulfonyl)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- N-(1H-benzimidazol-2-yl)-N-methyl-5-propylsulfonyl-1,3,4-thiadiazol-2-amine
Names & synonyms
1H-BENZIMIDAZOLE-2-METHANAMINE, N-(5-(PROPYLSULFONYL)-1,3,4-THIADIAZOL-2-YL)-93374-55-1N-(5-(Propylsulfonyl)-1,3,4-thiadiazol-2-yl)-1H-benzimidazole-2-methanamineDTXSID70239401RefChem:237596DTXCID50161892N-Methyl-N-[5-(propane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-1H-1,3-benzimidazol-2-amine
Database identifiers
- CAS
93374-55-1- PubChem CID
- 56624
- DTXSID
DTXSID70239401
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
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Compound notes
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