2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one

C15H18ClNOS — CID 3272082

IUPAC2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1C1CCCCC1
InChIInChI=1S/C15H18ClNOS/c16-12-8-6-11(7-9-12)15-17(14(18)10-19-15)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2
InChIKeyNHCMLVSPHCXULO-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.25
Rot. Bonds2

About 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one (PubChem CID 3272082) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
PubChem CID3272082
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1C1CCCCC1
InChIInChI=1S/C15H18ClNOS/c16-12-8-6-11(7-9-12)15-17(14(18)10-19-15)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2
InChIKeyNHCMLVSPHCXULO-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one (CID 3272082) is 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The InChIKey is NHCMLVSPHCXULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-12-8-6-11(7-9-12)15-17(14(18)10-19-15)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2.
What are the key properties of 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one has a molecular weight of 295.83 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3272082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).