N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride

C18H23ClFN3OS — CID 119319600

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H22FN3OS.ClH/c1-11(21-17(23)15-5-3-4-10-20-15)16-12(2)22-18(24-16)13-6-8-14(19)9-7-13;/h6-9,11,15,20H,3-5,10H2,1-2H3,(H,21,23);1H
InChIKeyCPDKGOMXIYNEQE-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.00
Rot. Bonds4

About N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119319600) has the molecular formula C18H23ClFN3OS and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119319600
Molecular FormulaC18H23ClFN3OS
Molecular Weight383.92 g/mol
Exact Mass383.12
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H22FN3OS.ClH/c1-11(21-17(23)15-5-3-4-10-20-15)16-12(2)22-18(24-16)13-6-8-14(19)9-7-13;/h6-9,11,15,20H,3-5,10H2,1-2H3,(H,21,23);1H
InChIKeyCPDKGOMXIYNEQE-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 124594864
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 61193687
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 119320634
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119779789
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847
(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633300

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride (CID 119319600) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride is Cc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is CPDKGOMXIYNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS.ClH/c1-11(21-17(23)15-5-3-4-10-20-15)16-12(2)22-18(24-16)13-6-8-14(19)9-7-13;/h6-9,11,15,20H,3-5,10H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119319600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).