5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid

C15H14ClNO2S — CID 173065142

IUPAC5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
SMILESCN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyOSIBXXPIRJAJAE-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid

5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid (PubChem CID 173065142) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
PubChem CID173065142
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
SMILESCN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyOSIBXXPIRJAJAE-UHFFFAOYSA-N
XLogP4.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid 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 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid (CID 173065142) is 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid is CN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is OSIBXXPIRJAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 307.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 173065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).