N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

C29H29N3OS — CID 71026080

IUPACN-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C3CCC(Cc4cccnc4)CC3)n2)c(-c2ccccc2)c1
InChIInChI=1S/C29H29N3OS/c1-20-9-14-26(25(16-20)23-7-3-2-4-8-23)31-28(33)27-19-34-29(32-27)24-12-10-21(11-13-24)17-22-6-5-15-30-18-22/h2-9,14-16,18-19,21,24H,10-13,17H2,1H3,(H,31,33)
InChIKeyOGKQEQZHMCJTKV-UHFFFAOYSA-N
MW467.64 g/mol
LogP7.28
Rot. Bonds6

About N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 71026080) has the molecular formula C29H29N3OS and a molecular weight of 467.64 g/mol. Its IUPAC name is N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID71026080
Molecular FormulaC29H29N3OS
Molecular Weight467.64 g/mol
Exact Mass467.20
IUPAC NameN-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C3CCC(Cc4cccnc4)CC3)n2)c(-c2ccccc2)c1
InChIInChI=1S/C29H29N3OS/c1-20-9-14-26(25(16-20)23-7-3-2-4-8-23)31-28(33)27-19-34-29(32-27)24-12-10-21(11-13-24)17-22-6-5-15-30-18-22/h2-9,14-16,18-19,21,24H,10-13,17H2,1H3,(H,31,33)
InChIKeyOGKQEQZHMCJTKV-UHFFFAOYSA-N
XLogP7.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-phenylphenyl)-2-[1-(propylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209237
2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209887
methyl (3R)-3-methyl-4-[4-[4-[(4-methyl-2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 59209024
2-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59208884
ethyl 2-[[4-[4-[(4-methyl-2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]acetate
CID 59209995
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026134
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142983250
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 142983094
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982576
N-(2-morpholin-4-ylphenyl)-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208629
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 71026080) is N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(C3CCC(Cc4cccnc4)CC3)n2)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OGKQEQZHMCJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3OS/c1-20-9-14-26(25(16-20)23-7-3-2-4-8-23)31-28(33)27-19-34-29(32-27)24-12-10-21(11-13-24)17-22-6-5-15-30-18-22/h2-9,14-16,18-19,21,24H,10-13,17H2,1H3,(H,31,33).
What are the key properties of N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 7.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).