(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione

C17H13NO4S — CID 6388341

IUPAC(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1
InChIInChI=1S/C17H13NO4S/c1-21-13-9-7-12(8-10-13)18-16(19)15(23-17(18)20)6-2-4-14-5-3-11-22-14/h2-11H,1H3/b4-2+,15-6-
InChIKeyPRNUEXCPOXIIRR-RPGBBNPCSA-N
MW327.36 g/mol
LogP4.09
Rot. Bonds4

About (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 6388341) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID6388341
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1
InChIInChI=1S/C17H13NO4S/c1-21-13-9-7-12(8-10-13)18-16(19)15(23-17(18)20)6-2-4-14-5-3-11-22-14/h2-11H,1H3/b4-2+,15-6-
InChIKeyPRNUEXCPOXIIRR-RPGBBNPCSA-N
XLogP4.09
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 6388341) is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is PRNUEXCPOXIIRR-RPGBBNPCSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-21-13-9-7-12(8-10-13)18-16(19)15(23-17(18)20)6-2-4-14-5-3-11-22-14/h2-11H,1H3/b4-2+,15-6-.
What are the key properties of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 327.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6388341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).