3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C25H28N2O3S — CID 4596884

IUPAC3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C25H28N2O3S/c1-3-30-21-15-14-18(16-22(21)29-2)17-23-24(28)27(20-12-8-5-9-13-20)25(31-23)26-19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3/b23-17?,26-25-
InChIKeyUJPJRKNWBKBOKH-QNCQATMTSA-N
MW436.58 g/mol
LogP6.03
Rot. Bonds6

About 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 4596884) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID4596884
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C25H28N2O3S/c1-3-30-21-15-14-18(16-22(21)29-2)17-23-24(28)27(20-12-8-5-9-13-20)25(31-23)26-19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3/b23-17?,26-25-
InChIKeyUJPJRKNWBKBOKH-QNCQATMTSA-N
XLogP6.03
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 2720922
2-[[4-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile
CID 98077820
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843583
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1233236
5-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4151358
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842567
2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 56697499
5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3982627
2-[2-methoxy-4-[(Z)-[3-[(1R,2S)-2-methylcyclohexyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 98619248
3-cyclohexyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2909011
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 4596884) is 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCOc1ccc(C=C2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC.
What is the InChIKey of 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UJPJRKNWBKBOKH-QNCQATMTSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-30-21-15-14-18(16-22(21)29-2)17-23-24(28)27(20-12-8-5-9-13-20)25(31-23)26-19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3/b23-17?,26-25-.
What are the key properties of 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 436.58 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4596884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).