5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C14H7Cl2NO2S2 — CID 63549537

IUPAC5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19)
InChIKeyFRKPQGOOYMLHSL-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.54
Rot. Bonds3

About 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 63549537) has the molecular formula C14H7Cl2NO2S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID63549537
Molecular FormulaC14H7Cl2NO2S2
Molecular Weight356.26 g/mol
Exact Mass354.93
IUPAC Name5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19)
InChIKeyFRKPQGOOYMLHSL-UHFFFAOYSA-N
XLogP5.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-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-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 63549537) is 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2csc(-c3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is FRKPQGOOYMLHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)13-17-10(6-21-13)11-4-7(5-20-11)14(18)19/h1-6H,(H,18,19).
What are the key properties of 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 356.26 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 63549537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).