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

C15H15FN2O4S2 — CID 167475876

IUPAC1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C15H15FN2O4S2/c16-12-3-1-10(2-4-12)14-17-13(9-23-14)24(21,22)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyIDZUZZMVNQYAND-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.43
Rot. Bonds4

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

1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid (PubChem CID 167475876) has the molecular formula C15H15FN2O4S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid
PubChem CID167475876
Molecular FormulaC15H15FN2O4S2
Molecular Weight370.43 g/mol
Exact Mass370.05
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C15H15FN2O4S2/c16-12-3-1-10(2-4-12)14-17-13(9-23-14)24(21,22)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyIDZUZZMVNQYAND-UHFFFAOYSA-N
XLogP2.43
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-3,4-dicarboxylic acid
CID 139008696
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
2-[4-[(4-carboxypiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160284
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 78870604
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
(3aS,6aR)-2-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122070625

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid (CID 167475876) is 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid?
The InChIKey is IDZUZZMVNQYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S2/c16-12-3-1-10(2-4-12)14-17-13(9-23-14)24(21,22)18-7-5-11(6-8-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20).
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid?
1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167475876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).