(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C25H20ClNO4S2 — CID 6528166

IUPAC(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c(OC)c1
InChIInChI=1S/C25H20ClNO4S2/c1-29-18-11-12-20(22(14-18)30-2)27-24(28)23(33-25(27)32)13-16-7-4-6-10-21(16)31-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3/b23-13-
InChIKeyWKUNDPDPFAUWDC-QRVIBDJDSA-N
MW498.03 g/mol
LogP6.34
Rot. Bonds7

About (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6528166) has the molecular formula C25H20ClNO4S2 and a molecular weight of 498.03 g/mol. Its IUPAC name is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6528166
Molecular FormulaC25H20ClNO4S2
Molecular Weight498.03 g/mol
Exact Mass497.05
IUPAC Name(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c(OC)c1
InChIInChI=1S/C25H20ClNO4S2/c1-29-18-11-12-20(22(14-18)30-2)27-24(28)23(33-25(27)32)13-16-7-4-6-10-21(16)31-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3/b23-13-
InChIKeyWKUNDPDPFAUWDC-QRVIBDJDSA-N
XLogP6.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514511
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514517
(5Z)-3-(2,4-dimethoxyphenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528108
(5Z)-3-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6176686
(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126334320
2-[2-[(E)-[3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862744
(5E)-3-(4-methoxyphenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871893
3-(2,3-dimethylphenyl)-5-[[5-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3980333
(5E)-3-(2,4-dichlorophenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126333010
(5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126338397
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836896
5-[(3-chlorophenyl)methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515004

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6528166) is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c(OC)c1.
What is the InChIKey of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WKUNDPDPFAUWDC-QRVIBDJDSA-N. The full InChI is InChI=1S/C25H20ClNO4S2/c1-29-18-11-12-20(22(14-18)30-2)27-24(28)23(33-25(27)32)13-16-7-4-6-10-21(16)31-15-17-8-3-5-9-19(17)26/h3-14H,15H2,1-2H3/b23-13-.
What are the key properties of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 498.03 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).