(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C21H21ClN2O3S — CID 9486588

IUPAC(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCCOc1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cccc1OC
InChIInChI=1S/C21H21ClN2O3S/c1-4-12-27-19-14(6-5-7-17(19)26-3)13-18-20(25)24(2)21(28-18)23-16-10-8-15(22)9-11-16/h5-11,13H,4,12H2,1-3H3/b18-13+,23-21-
InChIKeyOFPPLBIVNWWWJS-CEOOYPSPSA-N
MW416.93 g/mol
LogP5.37
Rot. Bonds6

About (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486588) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID9486588
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCCOc1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cccc1OC
InChIInChI=1S/C21H21ClN2O3S/c1-4-12-27-19-14(6-5-7-17(19)26-3)13-18-20(25)24(2)21(28-18)23-16-10-8-15(22)9-11-16/h5-11,13H,4,12H2,1-3H3/b18-13+,23-21-
InChIKeyOFPPLBIVNWWWJS-CEOOYPSPSA-N
XLogP5.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.37
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'}

Analyze (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one
CID 126090282
3-ethyl-5-[(3-methoxy-2-pentoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4258753
(5E)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233070
5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 3651052
(5E)-5-[(2-butoxyphenyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485073
4-[[(5E)-3-ethyl-5-[(3-methoxy-2-pentoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126067484
(5Z)-5-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485025
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126113030
ethyl 4-[[(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 6532197
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 126094323
5-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1228109
(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485058

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 9486588) is (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CCCOc1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cccc1OC.
What is the InChIKey of (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is OFPPLBIVNWWWJS-CEOOYPSPSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-4-12-27-19-14(6-5-7-17(19)26-3)13-18-20(25)24(2)21(28-18)23-16-10-8-15(22)9-11-16/h5-11,13H,4,12H2,1-3H3/b18-13+,23-21-.
What are the key properties of (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 416.93 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-chlorophenyl)imino-5-[(3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).