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

C19H17NO3S — CID 18836794

IUPAC(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C(C)=C2\SC(=O)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C19H17NO3S/c1-12-6-4-8-15(10-12)20-18(21)17(24-19(20)22)13(2)14-7-5-9-16(11-14)23-3/h4-11H,1-3H3/b17-13-
InChIKeyFSNPOPWWRXLYSK-LGMDPLHJSA-N
MW339.42 g/mol
LogP4.63
Rot. Bonds3

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

(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18836794) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18836794
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C(C)=C2\SC(=O)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C19H17NO3S/c1-12-6-4-8-15(10-12)20-18(21)17(24-19(20)22)13(2)14-7-5-9-16(11-14)23-3/h4-11H,1-3H3/b17-13-
InChIKeyFSNPOPWWRXLYSK-LGMDPLHJSA-N
XLogP4.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 18836794) is (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is COc1cccc(/C(C)=C2\SC(=O)N(c3cccc(C)c3)C2=O)c1.
What is the InChIKey of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FSNPOPWWRXLYSK-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-12-6-4-8-15(10-12)20-18(21)17(24-19(20)22)13(2)14-7-5-9-16(11-14)23-3/h4-11H,1-3H3/b17-13-.
What are the key properties of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 339.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).