4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide

C9H12FN3OS — CID 118050136

IUPAC4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccns1)C1(F)CCNCC1
InChIInChI=1S/C9H12FN3OS/c10-9(2-5-11-6-3-9)8(14)13-7-1-4-12-15-7/h1,4,11H,2-3,5-6H2,(H,13,14)
InChIKeyGSTLNGCJTLEFGH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.17
Rot. Bonds2

About 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide

4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide (PubChem CID 118050136) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide
PubChem CID118050136
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccns1)C1(F)CCNCC1
InChIInChI=1S/C9H12FN3OS/c10-9(2-5-11-6-3-9)8(14)13-7-1-4-12-15-7/h1,4,11H,2-3,5-6H2,(H,13,14)
InChIKeyGSTLNGCJTLEFGH-UHFFFAOYSA-N
XLogP1.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130643749
5-(4-fluoroazepan-4-yl)-1,2-thiazole
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3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 131020629
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
4-amino-N-pyridin-4-ylpiperidine-4-carboxamide
CID 139307147
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
N-(1H-imidazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 63563172
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide (CID 118050136) is 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide is O=C(Nc1ccns1)C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is GSTLNGCJTLEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c10-9(2-5-11-6-3-9)8(14)13-7-1-4-12-15-7/h1,4,11H,2-3,5-6H2,(H,13,14).
What are the key properties of 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide?
4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).