6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid

C20H19FN4O2S — CID 122053558

IUPAC6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C20H19FN4O2S/c21-15-6-4-14(5-7-15)19-22-16(13-28-19)12-24-8-10-25(11-9-24)18-3-1-2-17(23-18)20(26)27/h1-7,13H,8-12H2,(H,26,27)
InChIKeyZUZDNQPSQQYCDD-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.36
Rot. Bonds5

About 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053558) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053558
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C20H19FN4O2S/c21-15-6-4-14(5-7-15)19-22-16(13-28-19)12-24-8-10-25(11-9-24)18-3-1-2-17(23-18)20(26)27/h1-7,13H,8-12H2,(H,26,27)
InChIKeyZUZDNQPSQQYCDD-UHFFFAOYSA-N
XLogP3.36
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-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

Related Compounds

6-[2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]pyridine-2-carboxylic acid
CID 25024650
1-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid
CID 71087994
6-[4-[[2-[4-(Aminomethyl)piperidin-1-yl]-3-fluorophenyl]carbamoyl]-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 123689906
6-[(6-Fluoro-2-piperidin-1-yl-1,3-benzothiazol-4-yl)methyl]pyridine-2-carboxylic acid
CID 140277827
6-[[2-[Ethyl(propyl)amino]-6-fluoro-1,3-benzothiazol-4-yl]methyl]pyridine-2-carboxylic acid
CID 140277894
6-[(6-Fluoro-2-thiomorpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyridine-2-carboxylic acid
CID 140277912
6-[[2-(Diethylamino)-6-fluoro-1,3-benzothiazol-4-yl]methyl]pyridine-2-carboxylic acid
CID 140277937
6-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-fluoro-1,3-benzothiazol-4-yl]methyl]pyridine-2-carboxylic acid
CID 140277953
3-Fluoro-4-[[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
CID 143711752
2-Fluoro-4-[2-[4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]-2-oxoethyl]benzoic acid
CID 148864493
3-Fluoro-4-[2-[4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]-2-oxoethyl]benzoic acid
CID 159636370
6-[4-(3-Fluorobenzyl)-1-piperazinyl]-2-pyridinecarboxylic acid
CID 72903456

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 122053558) is 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1.
What is the InChIKey of 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZUZDNQPSQQYCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-15-6-4-14(5-7-15)19-22-16(13-28-19)12-24-8-10-25(11-9-24)18-3-1-2-17(23-18)20(26)27/h1-7,13H,8-12H2,(H,26,27).
What are the key properties of 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 398.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).