(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione

C18H14ClNO3S — CID 18840482

IUPAC(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C(C)=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C18H14ClNO3S/c1-11(12-5-3-8-15(9-12)23-2)16-17(21)20(18(22)24-16)14-7-4-6-13(19)10-14/h3-10H,1-2H3/b16-11-
InChIKeyVKIBPDUHMYNLEE-WJDWOHSUSA-N
MW359.83 g/mol
LogP4.98
Rot. Bonds3

About (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18840482) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18840482
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C(C)=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C18H14ClNO3S/c1-11(12-5-3-8-15(9-12)23-2)16-17(21)20(18(22)24-16)14-7-4-6-13(19)10-14/h3-10H,1-2H3/b16-11-
InChIKeyVKIBPDUHMYNLEE-WJDWOHSUSA-N
XLogP4.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836794
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837360
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840962
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844074
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840146
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
2-[5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 4515343
methyl 2-[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841263
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842220
2-[(5E)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
CID 7655660
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24590664

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione (CID 18840482) is (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione is COc1cccc(/C(C)=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1.
What is the InChIKey of (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VKIBPDUHMYNLEE-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-11(12-5-3-8-15(9-12)23-2)16-17(21)20(18(22)24-16)14-7-4-6-13(19)10-14/h3-10H,1-2H3/b16-11-.
What are the key properties of (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.83 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).