3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C20H19NO6S — CID 1318682

IUPAC3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OC)c(OC)cc1C=C1SC(=O)N(c2ccccc2OC)C1=O
InChIInChI=1S/C20H19NO6S/c1-24-14-8-6-5-7-13(14)21-19(22)18(28-20(21)23)10-12-9-16(26-3)17(27-4)11-15(12)25-2/h5-11H,1-4H3
InChIKeyQTWCOHVJXWMIAC-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.96
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1318682) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1318682
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OC)c(OC)cc1C=C1SC(=O)N(c2ccccc2OC)C1=O
InChIInChI=1S/C20H19NO6S/c1-24-14-8-6-5-7-13(14)21-19(22)18(28-20(21)23)10-12-9-16(26-3)17(27-4)11-15(12)25-2/h5-11H,1-4H3
InChIKeyQTWCOHVJXWMIAC-UHFFFAOYSA-N
XLogP3.96
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2176408
(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837217
(5Z)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126062438
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837183
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5Z)-5-[(3-fluorophenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837226
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126065747
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126063407
3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2928416
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247
(5Z)-3-(2-methoxyphenyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126079101
(5Z)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126064690

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1318682) is 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(OC)c(OC)cc1C=C1SC(=O)N(c2ccccc2OC)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QTWCOHVJXWMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-24-14-8-6-5-7-13(14)21-19(22)18(28-20(21)23)10-12-9-16(26-3)17(27-4)11-15(12)25-2/h5-11H,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 401.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).