3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C18H14ClNO4S — CID 2928416

IUPAC3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C=C2SC(=O)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C18H14ClNO4S/c1-23-12-7-8-15(24-2)11(9-12)10-16-17(21)20(18(22)25-16)14-6-4-3-5-13(14)19/h3-10H,1-2H3
InChIKeyVFHNLCBIZLVVHC-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.60
Rot. Bonds4

About 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2928416) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2928416
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C=C2SC(=O)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C18H14ClNO4S/c1-23-12-7-8-15(24-2)11(9-12)10-16-17(21)20(18(22)25-16)14-6-4-3-5-13(14)19/h3-10H,1-2H3
InChIKeyVFHNLCBIZLVVHC-UHFFFAOYSA-N
XLogP4.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059386
3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1318682
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126062209
(5Z)-3-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6176686
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126062347
(5Z)-3-(3,4-dichlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840878
3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1347612
(5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126063219
2-[4-bromo-2-[(Z)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 2176158
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
2-[5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 5030744
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126063407

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2928416) is 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(OC)c(C=C2SC(=O)N(c3ccccc3Cl)C2=O)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VFHNLCBIZLVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c1-23-12-7-8-15(24-2)11(9-12)10-16-17(21)20(18(22)25-16)14-6-4-3-5-13(14)19/h3-10H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 375.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2928416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).