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

C15H15FN2O2S — CID 122047336

IUPAC1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C15H15FN2O2S/c16-12-4-2-1-3-11(12)13-9-21-15(17-13)18-7-5-10(6-8-18)14(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyNVYMWIWOONDFLU-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.25
Rot. Bonds3

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

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (PubChem CID 122047336) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
PubChem CID122047336
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C15H15FN2O2S/c16-12-4-2-1-3-11(12)13-9-21-15(17-13)18-7-5-10(6-8-18)14(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyNVYMWIWOONDFLU-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692312
[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 15984574
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 129303196
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (CID 122047336) is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nc(-c3ccccc3F)cs2)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The InChIKey is NVYMWIWOONDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-4-2-1-3-11(12)13-9-21-15(17-13)18-7-5-10(6-8-18)14(19)20/h1-4,9-10H,5-8H2,(H,19,20).
What are the key properties of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122047336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).