1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C17H16ClFN4OS — CID 71891778

IUPAC1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN4OS/c18-15-14(9-20)17(25-22-15)23-7-5-12(6-8-23)16(24)21-10-11-1-3-13(19)4-2-11/h1-4,12H,5-8,10H2,(H,21,24)
InChIKeyKHEPHTIIPHHWLQ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 71891778) has the molecular formula C17H16ClFN4OS and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID71891778
Molecular FormulaC17H16ClFN4OS
Molecular Weight378.86 g/mol
Exact Mass378.07
IUPAC Name1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN4OS/c18-15-14(9-20)17(25-22-15)23-7-5-12(6-8-23)16(24)21-10-11-1-3-13(19)4-2-11/h1-4,12H,5-8,10H2,(H,21,24)
InChIKeyKHEPHTIIPHHWLQ-UHFFFAOYSA-N
XLogP3.34
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 71890791
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-[(2-chloro-4-cyanophenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 171622010
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(4-fluorophenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9192577
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 71891778) is 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is N#Cc1c(Cl)nsc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KHEPHTIIPHHWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4OS/c18-15-14(9-20)17(25-22-15)23-7-5-12(6-8-23)16(24)21-10-11-1-3-13(19)4-2-11/h1-4,12H,5-8,10H2,(H,21,24).
What are the key properties of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71891778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).