(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H22N2O3S — CID 167864296

IUPAC(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-3-10-24-15-9-8-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-6-4-5-7-14/h3,8-9,11-12,14H,1,4-7,10H2,2H3,(H,20,21,22)/b17-12+
InChIKeySKZZMNSSMDNQKU-SFQUDFHCSA-N
MW358.46 g/mol
LogP3.76
Rot. Bonds6

About (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 167864296) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID167864296
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-3-10-24-15-9-8-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-6-4-5-7-14/h3,8-9,11-12,14H,1,4-7,10H2,2H3,(H,20,21,22)/b17-12+
InChIKeySKZZMNSSMDNQKU-SFQUDFHCSA-N
XLogP3.76
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 136857990
(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026
(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-(4-chloro-2-methylphenyl)imino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118757
(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
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
(5Z)-5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-2-(5-chloro-2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137173630
2-cyclopentylimino-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136577262
(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836959
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500978

Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 167864296) is (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C=CCOc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1OC.
What is the InChIKey of (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is SKZZMNSSMDNQKU-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-10-24-15-9-8-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-6-4-5-7-14/h3,8-9,11-12,14H,1,4-7,10H2,2H3,(H,20,21,22)/b17-12+.
What are the key properties of (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 358.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 167864296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).