(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H12ClNO3S2 — CID 24590664

IUPAC(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1
InChIInChI=1S/C17H12ClNO3S2/c1-22-13-4-2-3-12(9-13)19-16(21)15(24-17(19)23)8-10-7-11(18)5-6-14(10)20/h2-9,20H,1H3/b15-8+
InChIKeyPXXOJWMLDUDPPQ-OVCLIPMQSA-N
MW377.87 g/mol
LogP4.46
Rot. Bonds3

About (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 24590664) has the molecular formula C17H12ClNO3S2 and a molecular weight of 377.87 g/mol. Its IUPAC name is (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID24590664
Molecular FormulaC17H12ClNO3S2
Molecular Weight377.87 g/mol
Exact Mass376.99
IUPAC Name(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1
InChIInChI=1S/C17H12ClNO3S2/c1-22-13-4-2-3-12(9-13)19-16(21)15(24-17(19)23)8-10-7-11(18)5-6-14(10)20/h2-9,20H,1H3/b15-8+
InChIKeyPXXOJWMLDUDPPQ-OVCLIPMQSA-N
XLogP4.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-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

(5E)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1286803
3-(3-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3110373
(5E)-3-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46666261
(5E)-5-[[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059548
4-[[3-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763241
(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24564700
(5E)-3-(3-chlorophenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18773985
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17384678
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 28922645
(5E)-3-(3-hydroxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1418273
3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1347612
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1225145

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 24590664) is (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1.
What is the InChIKey of (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PXXOJWMLDUDPPQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H12ClNO3S2/c1-22-13-4-2-3-12(9-13)19-16(21)15(24-17(19)23)8-10-7-11(18)5-6-14(10)20/h2-9,20H,1H3/b15-8+.
What are the key properties of (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 377.87 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 24590664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).