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

C20H19NO5S — CID 1345267

IUPAC(5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C20H19NO5S/c1-24-15-9-14(10-16(25-2)18(15)26-3)11-17-19(22)21(20(23)27-17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3/b17-11-
InChIKeyNDKWUVQDURAFKU-BOPFTXTBSA-N
MW385.44 g/mol
LogP3.95
Rot. Bonds6

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

(5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1345267) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1345267
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C20H19NO5S/c1-24-15-9-14(10-16(25-2)18(15)26-3)11-17-19(22)21(20(23)27-17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3/b17-11-
InChIKeyNDKWUVQDURAFKU-BOPFTXTBSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1345267) is (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NDKWUVQDURAFKU-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-24-15-9-14(10-16(25-2)18(15)26-3)11-17-19(22)21(20(23)27-17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3/b17-11-.
What are the key properties of (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1345267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).