(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one

C19H17ClN2O3S — CID 135834941

IUPAC(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C(\C)c3ccc(Cl)cc3)S2)c(OC)c1
InChIInChI=1S/C19H17ClN2O3S/c1-11(12-4-6-13(20)7-5-12)17-18(23)22-19(26-17)21-15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,22,23)/b17-11-
InChIKeyHHSPNAMDQWPYPJ-BOPFTXTBSA-N
MW388.88 g/mol
LogP4.64
Rot. Bonds4

About (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135834941) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135834941
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C(\C)c3ccc(Cl)cc3)S2)c(OC)c1
InChIInChI=1S/C19H17ClN2O3S/c1-11(12-4-6-13(20)7-5-12)17-18(23)22-19(26-17)21-15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,22,23)/b17-11-
InChIKeyHHSPNAMDQWPYPJ-BOPFTXTBSA-N
XLogP4.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.64
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)-2-(2-hydroxy-5-methylphenyl)imino-5-[1-(4-methoxyphenyl)ethylidene]-1,3-thiazolidin-4-one
CID 135834340
4-[[2-(2,4-dimethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135483130
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482873
methyl 2-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834842
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135834936
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535360
(5E)-5-[1-(4-methoxyphenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1381007
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118739
(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
N-[4-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135834678
(5Z)-5-[1-(4-aminophenyl)ethylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135834918

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135834941) is (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)/C(=C(\C)c3ccc(Cl)cc3)S2)c(OC)c1.
What is the InChIKey of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HHSPNAMDQWPYPJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-11(12-4-6-13(20)7-5-12)17-18(23)22-19(26-17)21-15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,21,22,23)/b17-11-.
What are the key properties of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 388.88 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).