3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Basic information
- CAS
5701-74-6- Standard SMILES
Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c(C)c1- InChIKey
FGKOVPOGVHNOFJ-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2OS2
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.0314331
Names & identifiers
- Preferred name
- 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Names & synonyms
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide5701-74-6CBMicro_028557Oprea1_117298DTXSID40362073STK426418AKOS003254205BIM-0028690.P001ST50916095N-[4-(2,4-dimethylphenyl)(1,3-thiazol-2-yl)](3-chlorobenzo[b]thiophen-2-yl)car boxamide
Database identifiers
- CAS
5701-74-6- PubChem CID
- 1358970
- DTXSID
DTXSID40362073
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…