4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid

C14H8BrFN2O2S — CID 114888837

IUPAC4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2csc(-c3c(F)cccc3Br)n2)c[nH]1
InChIInChI=1S/C14H8BrFN2O2S/c15-8-2-1-3-9(16)12(8)13-18-11(6-21-13)7-4-10(14(19)20)17-5-7/h1-6,17H,(H,19,20)
InChIKeyRIGACJDEJDNEJE-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.41
Rot. Bonds3

About 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid

4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid (PubChem CID 114888837) has the molecular formula C14H8BrFN2O2S and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
PubChem CID114888837
Molecular FormulaC14H8BrFN2O2S
Molecular Weight367.20 g/mol
Exact Mass365.95
IUPAC Name4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2csc(-c3c(F)cccc3Br)n2)c[nH]1
InChIInChI=1S/C14H8BrFN2O2S/c15-8-2-1-3-9(16)12(8)13-18-11(6-21-13)7-4-10(14(19)20)17-5-7/h1-6,17H,(H,19,20)
InChIKeyRIGACJDEJDNEJE-UHFFFAOYSA-N
XLogP4.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-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 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid (CID 114888837) is 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(-c2csc(-c3c(F)cccc3Br)n2)c[nH]1.
What is the InChIKey of 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is RIGACJDEJDNEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2S/c15-8-2-1-3-9(16)12(8)13-18-11(6-21-13)7-4-10(14(19)20)17-5-7/h1-6,17H,(H,19,20).
What are the key properties of 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid?
4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 114888837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).