N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

C23H22N4OS — CID 86883809

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cs1
InChIInChI=1S/C23H22N4OS/c1-16-4-2-3-5-20(16)23-26-21(15-29-23)22(28)25-18-10-12-27(13-11-18)19-8-6-17(14-24)7-9-19/h2-9,15,18H,10-13H2,1H3,(H,25,28)
InChIKeyARJYIVFZZMMIKF-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 86883809) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID86883809
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cs1
InChIInChI=1S/C23H22N4OS/c1-16-4-2-3-5-20(16)23-26-21(15-29-23)22(28)25-18-10-12-27(13-11-18)19-8-6-17(14-24)7-9-19/h2-9,15,18H,10-13H2,1H3,(H,25,28)
InChIKeyARJYIVFZZMMIKF-UHFFFAOYSA-N
XLogP4.39
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120598681
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192059
1-(4-chlorophenyl)-N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 86868650
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 86868712
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 86883809) is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1nc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cs1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ARJYIVFZZMMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16-4-2-3-5-20(16)23-26-21(15-29-23)22(28)25-18-10-12-27(13-11-18)19-8-6-17(14-24)7-9-19/h2-9,15,18H,10-13H2,1H3,(H,25,28).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86883809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).