3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

C19H12Cl2N2OS2 — CID 23791817

IUPAC3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H12Cl2N2OS2/c20-12-7-5-11(6-8-12)9-13-10-22-19(25-13)23-18(24)17-16(21)14-3-1-2-4-15(14)26-17/h1-8,10H,9H2,(H,22,23,24)
InChIKeyFOYSYPUNTXSWTF-UHFFFAOYSA-N
MW419.36 g/mol
LogP6.51
Rot. Bonds4

About 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 23791817) has the molecular formula C19H12Cl2N2OS2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID23791817
Molecular FormulaC19H12Cl2N2OS2
Molecular Weight419.36 g/mol
Exact Mass417.98
IUPAC Name3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H12Cl2N2OS2/c20-12-7-5-11(6-8-12)9-13-10-22-19(25-13)23-18(24)17-16(21)14-3-1-2-4-15(14)26-17/h1-8,10H,9H2,(H,22,23,24)
InChIKeyFOYSYPUNTXSWTF-UHFFFAOYSA-N
XLogP6.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.36
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 980427
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 16562126
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30291826
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
2-chloro-N-[(2S)-1-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 24575713
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 19284441
N-[3-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26708433
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16559200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 23791817) is 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is FOYSYPUNTXSWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2OS2/c20-12-7-5-11(6-8-12)9-13-10-22-19(25-13)23-18(24)17-16(21)14-3-1-2-4-15(14)26-17/h1-8,10H,9H2,(H,22,23,24).
What are the key properties of 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 23791817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).