1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H19F2N3OS — CID 47068763

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(c1ccc(F)cc1F)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C17H19F2N3OS/c1-11(14-3-2-13(18)10-15(14)19)22-7-4-12(5-8-22)16(23)21-17-20-6-9-24-17/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyBFLAQFBOOSPXTR-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.83
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47068763) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID47068763
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(c1ccc(F)cc1F)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C17H19F2N3OS/c1-11(14-3-2-13(18)10-15(14)19)22-7-4-12(5-8-22)16(23)21-17-20-6-9-24-17/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyBFLAQFBOOSPXTR-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 71889221
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 97313014
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51092852
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
1-[(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3887311

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 47068763) is 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(c1ccc(F)cc1F)N1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BFLAQFBOOSPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c1-11(14-3-2-13(18)10-15(14)19)22-7-4-12(5-8-22)16(23)21-17-20-6-9-24-17/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,21,23).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47068763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).