(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H11Cl2NO2S2 — CID 58643002

IUPAC(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2ccc(Cl)cc2Cl)cc1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C17H11Cl2NO2S2/c1-22-14-5-2-9(12-4-3-11(18)8-13(12)19)6-10(14)7-15-16(21)20-17(23)24-15/h2-8H,1H3,(H,20,21,23)/b15-7-
InChIKeyVXMKHSQGKGYHLJ-CHHVJCJISA-N
MW396.32 g/mol
LogP5.16
Rot. Bonds3

About (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58643002) has the molecular formula C17H11Cl2NO2S2 and a molecular weight of 396.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58643002
Molecular FormulaC17H11Cl2NO2S2
Molecular Weight396.32 g/mol
Exact Mass394.96
IUPAC Name(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2ccc(Cl)cc2Cl)cc1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C17H11Cl2NO2S2/c1-22-14-5-2-9(12-4-3-11(18)8-13(12)19)6-10(14)7-15-16(21)20-17(23)24-15/h2-8H,1H3,(H,20,21,23)/b15-7-
InChIKeyVXMKHSQGKGYHLJ-CHHVJCJISA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-[(5-bromo-2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3511998
(5Z)-5-[(5-hydroxy-2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122579907
(5Z)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1354136
5-[(5-chloro-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 57374075
5-[(5-chloro-2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2895141
(5Z)-5-[(2,5-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6243032
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1269277
5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2864374
(5Z)-5-[[3-(2,4-dichlorophenyl)-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643212
(5Z)-5-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2290961
2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 18808466

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58643002) is (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(-c2ccc(Cl)cc2Cl)cc1/C=C1\SC(=S)NC1=O.
What is the InChIKey of (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is VXMKHSQGKGYHLJ-CHHVJCJISA-N. The full InChI is InChI=1S/C17H11Cl2NO2S2/c1-22-14-5-2-9(12-4-3-11(18)8-13(12)19)6-10(14)7-15-16(21)20-17(23)24-15/h2-8H,1H3,(H,20,21,23)/b15-7-.
What are the key properties of (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 396.32 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).