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

C18H15NO4S — CID 18837254

IUPAC(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H15NO4S/c1-11(12-7-9-13(20)10-8-12)16-17(21)19(18(22)24-16)14-5-3-4-6-15(14)23-2/h3-10,20H,1-2H3/b16-11-
InChIKeyGBKYWBJPQLHARS-WJDWOHSUSA-N
MW341.39 g/mol
LogP4.03
Rot. Bonds3

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

(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837254) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837254
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H15NO4S/c1-11(12-7-9-13(20)10-8-12)16-17(21)19(18(22)24-16)14-5-3-4-6-15(14)23-2/h3-10,20H,1-2H3/b16-11-
InChIKeyGBKYWBJPQLHARS-WJDWOHSUSA-N
XLogP4.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837254) is (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O.
What is the InChIKey of (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is GBKYWBJPQLHARS-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-11(12-7-9-13(20)10-8-12)16-17(21)19(18(22)24-16)14-5-3-4-6-15(14)23-2/h3-10,20H,1-2H3/b16-11-.
What are the key properties of (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 341.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).