N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C22H22N2OS — CID 2427902

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C22H22N2OS/c25-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(26-22)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,24,25)
InChIKeyZHMHWVZSZRJAGG-UHFFFAOYSA-N
MW362.50 g/mol
LogP6.00
Rot. Bonds4

About N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 2427902) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID2427902
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C22H22N2OS/c25-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(26-22)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,24,25)
InChIKeyZHMHWVZSZRJAGG-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22282337
N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831846
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
CID 94970522
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 2427902) is N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCCCC1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is ZHMHWVZSZRJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(26-22)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,24,25).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 362.50 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2427902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).