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

C20H15ClN2OS2 — CID 1358970

IUPAC3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c(C)c1
InChIInChI=1S/C20H15ClN2OS2/c1-11-7-8-13(12(2)9-11)15-10-25-20(22-15)23-19(24)18-17(21)14-5-3-4-6-16(14)26-18/h3-10H,1-2H3,(H,22,23,24)
InChIKeyFGKOVPOGVHNOFJ-UHFFFAOYSA-N
MW398.94 g/mol
LogP6.55
Rot. Bonds3

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

3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 1358970) has the molecular formula C20H15ClN2OS2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID1358970
Molecular FormulaC20H15ClN2OS2
Molecular Weight398.94 g/mol
Exact Mass398.03
IUPAC Name3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c(C)c1
InChIInChI=1S/C20H15ClN2OS2/c1-11-7-8-13(12(2)9-11)15-10-25-20(22-15)23-19(24)18-17(21)14-5-3-4-6-16(14)26-18/h3-10H,1-2H3,(H,22,23,24)
InChIKeyFGKOVPOGVHNOFJ-UHFFFAOYSA-N
XLogP6.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 5221339
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 26894026
3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 1358970) is 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c(C)c1.
What is the InChIKey of 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is FGKOVPOGVHNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS2/c1-11-7-8-13(12(2)9-11)15-10-25-20(22-15)23-19(24)18-17(21)14-5-3-4-6-16(14)26-18/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1358970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).