3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid

C14H9FN2O2S — CID 71087995

IUPAC3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)ccn1-c1cscn1
InChIInChI=1S/C14H9FN2O2S/c15-11-4-2-1-3-9(11)10-5-6-17(13(10)14(18)19)12-7-20-8-16-12/h1-8H,(H,18,19)
InChIKeyWGWBHZINUKNUTO-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid

3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid (PubChem CID 71087995) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
PubChem CID71087995
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)ccn1-c1cscn1
InChIInChI=1S/C14H9FN2O2S/c15-11-4-2-1-3-9(11)10-5-6-17(13(10)14(18)19)12-7-20-8-16-12/h1-8H,(H,18,19)
InChIKeyWGWBHZINUKNUTO-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

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Related Compounds

3-[[[4-Methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]methyl]benzoic acid
CID 142463507
Preparation of N-(2-fluoro-4-iodophenyl)-4-methyl-1H-pyrrole-2-carboxamide
CID 146501162
Preparation of N-(3-fluoro-4-iodophenyl)-4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-1H-pyrrole-2-carboxamide
CID 146501171
4-[[1-[[2-(3-Fluoropiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrole-2-carbonyl]amino]benzoic acid
CID 142463508
Preparation of 4-(chloromethyl)-N,N-diethylthiazol-2-amine
CID 146501187
6-Phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 329978
4-[(3,4-Difluorophenyl)methyl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 18405237
1-[(3,4-Difluorophenyl)methyl]-4-propyl-3-(1,3-thiazol-2-yl)pyrrole-2-carboxylic acid
CID 68769554
1-[(3-Fluorophenyl)methyl]-4-(2-methylpropyl)-3-(1,3-thiazol-2-yl)pyrrole-2-carboxylic acid
CID 68769700
1-[(3,4-Difluorophenyl)methyl]-4-(2-methylpropyl)-3-(1,3-thiazol-2-yl)pyrrole-2-carboxylic acid
CID 68769766
1-[(2,4-Difluorophenyl)methyl]-4-ethyl-3-(1,3-thiazol-2-yl)pyrrole-2-carboxylic acid
CID 68770460
1-[(2,3-Difluorophenyl)methyl]-4-(2-methylpropyl)-3-(1,3-thiazol-2-yl)pyrrole-2-carboxylic acid
CID 68771466

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid (CID 71087995) is 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid is O=C(O)c1c(-c2ccccc2F)ccn1-c1cscn1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The InChIKey is WGWBHZINUKNUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-11-4-2-1-3-9(11)10-5-6-17(13(10)14(18)19)12-7-20-8-16-12/h1-8H,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-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 3-(2-fluorophenyl)-1-(1,3-thiazol-4-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 71087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).