4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile

C13H11ClN2S — CID 621771

IUPAC4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile
SMILESCN(C)c1scc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C13H11ClN2S/c1-16(2)13-11(7-15)12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8H,1-2H3
InChIKeyQUJNJFAIEWBQIR-UHFFFAOYSA-N
MW262.77 g/mol
LogP4.01
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile

4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile (PubChem CID 621771) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile
PubChem CID621771
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile
SMILESCN(C)c1scc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C13H11ClN2S/c1-16(2)13-11(7-15)12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8H,1-2H3
InChIKeyQUJNJFAIEWBQIR-UHFFFAOYSA-N
XLogP4.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile (CID 621771) is 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile is CN(C)c1scc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile?
The InChIKey is QUJNJFAIEWBQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-16(2)13-11(7-15)12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile?
4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile has a molecular weight of 262.77 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(dimethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 621771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).