3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C20H22N2OS — CID 2732157

IUPAC3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22N2OS/c23-19-14-24-20(17-7-4-12-21-13-17)22(19)18-10-8-16(9-11-18)15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6,14H2
InChIKeyIURNCOWZAUZFQF-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.91
Rot. Bonds3

About 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732157) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732157
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22N2OS/c23-19-14-24-20(17-7-4-12-21-13-17)22(19)18-10-8-16(9-11-18)15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6,14H2
InChIKeyIURNCOWZAUZFQF-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304122
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
3-(4-bromo-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2826305
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925144
3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732041
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304120
3-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazinan-4-one
CID 13304173
3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
CID 87722351

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732157) is 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is IURNCOWZAUZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-19-14-24-20(17-7-4-12-21-13-17)22(19)18-10-8-16(9-11-18)15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6,14H2.
What are the key properties of 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 338.48 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).