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

C14H9FN2O2S — CID 71087994

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)13-16-12(8-20-13)17-7-1-2-11(17)14(18)19/h1-8H,(H,18,19)
InChIKeyZWBRVPOFVYJUEW-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds3

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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid (PubChem CID 71087994) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid
PubChem CID71087994
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)13-16-12(8-20-13)17-7-1-2-11(17)14(18)19/h1-8H,(H,18,19)
InChIKeyZWBRVPOFVYJUEW-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

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CID 146501162
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1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 8934579
Preparation of 4-(chloromethyl)-N,N-diethylthiazol-2-amine
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2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 16785582
4-[(3,4-Difluorophenyl)methyl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 18405237
2-[2-[[1-[(4-Fluorophenyl)methyl]pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 59514005
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 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid (CID 71087994) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is ZWBRVPOFVYJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)13-16-12(8-20-13)17-7-1-2-11(17)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid?
1-[2-(4-fluorophenyl)-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 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 71087994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).