(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one

C17H20N2OS — CID 2190954

IUPAC(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2)S/C1=N/C1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-19-16(20)15(12-13-8-4-2-5-9-13)21-17(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b15-12-,18-17+
InChIKeyVVVNYKWURWSVSR-RTEPIGOCSA-N
MW300.43 g/mol
LogP3.92
Rot. Bonds2

About (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 2190954) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one
PubChem CID2190954
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2)S/C1=N/C1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-19-16(20)15(12-13-8-4-2-5-9-13)21-17(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b15-12-,18-17+
InChIKeyVVVNYKWURWSVSR-RTEPIGOCSA-N
XLogP3.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.92
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-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one (CID 2190954) is (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2)S/C1=N/C1CCCCC1.
What is the InChIKey of (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is VVVNYKWURWSVSR-RTEPIGOCSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19-16(20)15(12-13-8-4-2-5-9-13)21-17(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b15-12-,18-17+.
What are the key properties of (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2190954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).