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

C24H26ClN3OS — CID 143296109

IUPACN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1N1CCCC(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)C1
InChIInChI=1S/C24H26ClN3OS/c1-16-6-3-4-8-21(16)28-13-5-7-19(15-28)23(29)26-14-22-17(2)27-24(30-22)18-9-11-20(25)12-10-18/h3-4,6,8-12,19H,5,7,13-15H2,1-2H3,(H,26,29)
InChIKeyVQQWVNDFEYCXDR-UHFFFAOYSA-N
MW440.01 g/mol
LogP5.61
Rot. Bonds5

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

N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 143296109) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide
PubChem CID143296109
Molecular FormulaC24H26ClN3OS
Molecular Weight440.01 g/mol
Exact Mass439.15
IUPAC NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1N1CCCC(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)C1
InChIInChI=1S/C24H26ClN3OS/c1-16-6-3-4-8-21(16)28-13-5-7-19(15-28)23(29)26-14-22-17(2)27-24(30-22)18-9-11-20(25)12-10-18/h3-4,6,8-12,19H,5,7,13-15H2,1-2H3,(H,26,29)
InChIKeyVQQWVNDFEYCXDR-UHFFFAOYSA-N
XLogP5.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.01
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid
CID 141156821
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 90546576
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90547251
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 20965674
N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893003
methyl 2-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 58992629
3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119772198
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988850
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide (CID 143296109) is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide is Cc1ccccc1N1CCCC(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)C1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is VQQWVNDFEYCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3OS/c1-16-6-3-4-8-21(16)28-13-5-7-19(15-28)23(29)26-14-22-17(2)27-24(30-22)18-9-11-20(25)12-10-18/h3-4,6,8-12,19H,5,7,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide?
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 440.01 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 143296109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).