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

C24H23ClFN3O2S — CID 46535688

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1Cl
InChIInChI=1S/C24H23ClFN3O2S/c1-15-2-3-16(13-21(15)25)12-20-14-27-24(32-20)28-22(30)17-8-10-29(11-9-17)23(31)18-4-6-19(26)7-5-18/h2-7,13-14,17H,8-12H2,1H3,(H,27,28,30)
InChIKeyLHZXOHYGWXYQNX-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.33
Rot. Bonds5

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

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 46535688) has the molecular formula C24H23ClFN3O2S and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID46535688
Molecular FormulaC24H23ClFN3O2S
Molecular Weight471.99 g/mol
Exact Mass471.12
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1Cl
InChIInChI=1S/C24H23ClFN3O2S/c1-15-2-3-16(13-21(15)25)12-20-14-27-24(32-20)28-22(30)17-8-10-29(11-9-17)23(31)18-4-6-19(26)7-5-18/h2-7,13-14,17H,8-12H2,1H3,(H,27,28,30)
InChIKeyLHZXOHYGWXYQNX-UHFFFAOYSA-N
XLogP5.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-butanoylpiperidine-4-carboxamide
CID 55880655
(2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 30685153
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 167947840
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
N-[5-[(4-bromo-3-chlorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836761
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 46535688) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1Cl.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is LHZXOHYGWXYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2S/c1-15-2-3-16(13-21(15)25)12-20-14-27-24(32-20)28-22(30)17-8-10-29(11-9-17)23(31)18-4-6-19(26)7-5-18/h2-7,13-14,17H,8-12H2,1H3,(H,27,28,30).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).