2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C16H20N2O3S — CID 136515422

IUPAC2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCOCc1ccc(C=C2S/C(=N/C3CCCCC3)NC2=O)o1
InChIInChI=1S/C16H20N2O3S/c1-20-10-13-8-7-12(21-13)9-14-15(19)18-16(22-14)17-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18,19)
InChIKeyQMTGJPNZRRTJAL-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 136515422) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID136515422
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCOCc1ccc(C=C2S/C(=N/C3CCCCC3)NC2=O)o1
InChIInChI=1S/C16H20N2O3S/c1-20-10-13-8-7-12(21-13)9-14-15(19)18-16(22-14)17-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18,19)
InChIKeyQMTGJPNZRRTJAL-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135797648
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135889358
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026
(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136676797
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 167864296
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297
2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135521007

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 136515422) is 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is COCc1ccc(C=C2S/C(=N/C3CCCCC3)NC2=O)o1.
What is the InChIKey of 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QMTGJPNZRRTJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-20-10-13-8-7-12(21-13)9-14-15(19)18-16(22-14)17-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 320.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136515422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).