3-chloro-N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Basic information
- CAS
304896-01-3- Standard SMILES
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1sc2ccccc2c1Cl- InChIKey
UUYDDEQHXUZYFG-UHFFFAOYSA-N- Molecular formula
- C19H12Cl2N2OS2
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 417.9768107
Names & identifiers
- Preferred name
- 3-chloro-N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
- Molecular formula
- C19H12Cl2N2OS2
- Molecular weight
- 419.35
Names & synonyms
3-chloro-N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamideOprea1_507651Oprea1_633881STK952045AKOS0006280303-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamideST50006745(3-chlorobenzo[b]thiophen-2-yl)-N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl )}carboxamide304896-01-33-CHLORO-N-(5-(2-CHLOROBENZYL)-1,3-THIAZOL-2-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDEBenzo[b]thiophene-2-carboxamide, 3-chloro-N-[5-[(2-chlorophenyl)methyl]-2-thiazolyl]-
Database identifiers
- CAS
304896-01-3- PubChem CID
- 987791
- EC Number
- 140-071-6
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- 4.95 · 4.95±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…