(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C20H19ClN2O3S — CID 137079864

IUPAC(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(Cl)cc1OC
InChIInChI=1S/C20H19ClN2O3S/c1-4-26-17-9-13(15(21)11-16(17)25-3)10-18-19(24)23-20(27-18)22-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H,22,23,24)/b18-10+
InChIKeyAUVVNMINKCTJSA-VCHYOVAHSA-N
MW402.90 g/mol
LogP4.95
Rot. Bonds5

About (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137079864) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137079864
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(Cl)cc1OC
InChIInChI=1S/C20H19ClN2O3S/c1-4-26-17-9-13(15(21)11-16(17)25-3)10-18-19(24)23-20(27-18)22-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H,22,23,24)/b18-10+
InChIKeyAUVVNMINKCTJSA-VCHYOVAHSA-N
XLogP4.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.95
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'}

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Related Compounds

(5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137069971
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137080980
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137137180
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136700717
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118980
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064730
(5E)-5-[[3-ethoxy-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137070832
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137162414
5-[(4,5-dimethoxy-2-methylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500708
(5E)-5-[(3-chloro-4-hexoxy-5-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137070852
(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137080480
(5Z)-5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137074297

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 137079864) is (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(Cl)cc1OC.
What is the InChIKey of (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is AUVVNMINKCTJSA-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-4-26-17-9-13(15(21)11-16(17)25-3)10-18-19(24)23-20(27-18)22-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H,22,23,24)/b18-10+.
What are the key properties of (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 402.90 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137079864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).