5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid

C14H9FN2O2S — CID 83290766

IUPAC5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)12-11(13(18)19)16-14(20-12)17-7-1-2-8-17/h1-8H,(H,18,19)
InChIKeyCDMMDLXUHNYYFW-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds3

About 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid

5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 83290766) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid
PubChem CID83290766
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)12-11(13(18)19)16-14(20-12)17-7-1-2-8-17/h1-8H,(H,18,19)
InChIKeyCDMMDLXUHNYYFW-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-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-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid (CID 83290766) is 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CDMMDLXUHNYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)12-11(13(18)19)16-14(20-12)17-7-1-2-8-17/h1-8H,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid?
5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).