(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C22H22N2OS — CID 25149225

IUPAC(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C2CCCCC2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2/b20-16-,23-22-
InChIKeyKBGMUPLVSBHKCC-GAADFGEESA-N
MW362.50 g/mol
LogP5.92
Rot. Bonds3

About (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 25149225) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID25149225
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C2CCCCC2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2/b20-16-,23-22-
InChIKeyKBGMUPLVSBHKCC-GAADFGEESA-N
XLogP5.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 25149225) is (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/C2CCCCC2)S/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is KBGMUPLVSBHKCC-GAADFGEESA-N. The full InChI is InChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2/b20-16-,23-22-.
What are the key properties of (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 362.50 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 25149225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).