2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

C25H31N3O2S — CID 3548815

IUPAC2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCCc2ccccn2)CSC1C1CCCCC1
InChIInChI=1S/C25H31N3O2S/c1-18-9-5-6-13-21(18)24(30)28-22(17-31-25(28)19-10-3-2-4-11-19)23(29)27-16-14-20-12-7-8-15-26-20/h5-9,12-13,15,19,22,25H,2-4,10-11,14,16-17H2,1H3,(H,27,29)
InChIKeyPCJKDEQWWICDAW-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.21
Rot. Bonds6

About 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3548815) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3548815
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Name2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCCc2ccccn2)CSC1C1CCCCC1
InChIInChI=1S/C25H31N3O2S/c1-18-9-5-6-13-21(18)24(30)28-22(17-31-25(28)19-10-3-2-4-11-19)23(29)27-16-14-20-12-7-8-15-26-20/h5-9,12-13,15,19,22,25H,2-4,10-11,14,16-17H2,1H3,(H,27,29)
InChIKeyPCJKDEQWWICDAW-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749157
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 46152900
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
N-(2-pyridin-2-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 126830265
3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3432560
2-(4-tert-butylphenyl)-3-(2-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744230
(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 46652639
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 3548815) is 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NCCc2ccccn2)CSC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PCJKDEQWWICDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-18-9-5-6-13-21(18)24(30)28-22(17-31-25(28)19-10-3-2-4-11-19)23(29)27-16-14-20-12-7-8-15-26-20/h5-9,12-13,15,19,22,25H,2-4,10-11,14,16-17H2,1H3,(H,27,29).
What are the key properties of 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3548815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).