(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C22H19Cl2NO4S2 — CID 2202213

IUPAC(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2OC)SC1=S
InChIInChI=1S/C22H19Cl2NO4S2/c1-3-8-25-21(26)19(31-22(25)30)12-14-11-15(23)13-16(24)20(14)29-10-9-28-18-7-5-4-6-17(18)27-2/h3-7,11-13H,1,8-10H2,2H3/b19-12-
InChIKeyGPTVDZRFVQWJSW-UNOMPAQXSA-N
MW496.44 g/mol
LogP5.85
Rot. Bonds9

About (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2202213) has the molecular formula C22H19Cl2NO4S2 and a molecular weight of 496.44 g/mol. Its IUPAC name is (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2202213
Molecular FormulaC22H19Cl2NO4S2
Molecular Weight496.44 g/mol
Exact Mass495.01
IUPAC Name(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2OC)SC1=S
InChIInChI=1S/C22H19Cl2NO4S2/c1-3-8-25-21(26)19(31-22(25)30)12-14-11-15(23)13-16(24)20(14)29-10-9-28-18-7-5-4-6-17(18)27-2/h3-7,11-13H,1,8-10H2,2H3/b19-12-
InChIKeyGPTVDZRFVQWJSW-UNOMPAQXSA-N
XLogP5.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5E)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1326126
5-[[3,5-dichloro-2-(3-phenoxypropoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2905782
5-[[3-chloro-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4046016
(5E)-5-[[3,5-dichloro-2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25246707
5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891170
(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5293302
5-[[3,5-dichloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2889880
(5Z)-5-[[3,5-dichloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2271958
5-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891004
5-[[3,5-dichloro-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4536267
(5E)-3-ethyl-5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2291331
3-ethyl-5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2917010

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2202213) is (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2OC)SC1=S.
What is the InChIKey of (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GPTVDZRFVQWJSW-UNOMPAQXSA-N. The full InChI is InChI=1S/C22H19Cl2NO4S2/c1-3-8-25-21(26)19(31-22(25)30)12-14-11-15(23)13-16(24)20(14)29-10-9-28-18-7-5-4-6-17(18)27-2/h3-7,11-13H,1,8-10H2,2H3/b19-12-.
What are the key properties of (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 496.44 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2202213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).