2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C20H26N2O2S — CID 135521007

IUPAC2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)CCOc1ccc(C=C2S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)11-12-24-17-9-7-15(8-10-17)13-18-19(23)22-20(25-18)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,21,22,23)
InChIKeyXFDLRBHIUPFPMU-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135521007) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135521007
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)CCOc1ccc(C=C2S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)11-12-24-17-9-7-15(8-10-17)13-18-19(23)22-20(25-18)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,21,22,23)
InChIKeyXFDLRBHIUPFPMU-UHFFFAOYSA-N
XLogP4.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(5E)-5-[[4-(3-methylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19201262
(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135971003
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
CID 136857974
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297
(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 167864296
(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)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 136857990

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 135521007) is 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is CC(C)CCOc1ccc(C=C2S/C(=N\C3CCCC3)NC2=O)cc1.
What is the InChIKey of 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XFDLRBHIUPFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14(2)11-12-24-17-9-7-15(8-10-17)13-18-19(23)22-20(25-18)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 358.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135521007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).