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

C15H17ClN2OS — CID 139220987

IUPAC2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1C1CCCCC1
InChIInChI=1S/C15H17ClN2OS/c16-11-6-8-12(9-7-11)17-15-18(14(19)10-20-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2/b17-15-
InChIKeyZGXKIBLXSCQIFK-ICFOKQHNSA-N
MW308.83 g/mol
LogP4.24
Rot. Bonds2

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

2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one (PubChem CID 139220987) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one
PubChem CID139220987
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1C1CCCCC1
InChIInChI=1S/C15H17ClN2OS/c16-11-6-8-12(9-7-11)17-15-18(14(19)10-20-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2/b17-15-
InChIKeyZGXKIBLXSCQIFK-ICFOKQHNSA-N
XLogP4.24
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one (CID 139220987) is 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(Cl)cc2)N1C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one?
The InChIKey is ZGXKIBLXSCQIFK-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-11-6-8-12(9-7-11)17-15-18(14(19)10-20-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2/b17-15-.
What are the key properties of 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one has a molecular weight of 308.83 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).