(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H9NO3S2 — CID 7658362

IUPAC(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO3S2/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H/b12-8-
InChIKeyCPTJUWSHVPCALW-WQLSENKSSA-N
MW303.36 g/mol
LogP3.69
Rot. Bonds2

About (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 7658362) has the molecular formula C14H9NO3S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID7658362
Molecular FormulaC14H9NO3S2
Molecular Weight303.36 g/mol
Exact Mass303.00
IUPAC Name(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO3S2/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H/b12-8-
InChIKeyCPTJUWSHVPCALW-WQLSENKSSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.69
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)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 7658362) is (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccs2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is CPTJUWSHVPCALW-WQLSENKSSA-N. The full InChI is InChI=1S/C14H9NO3S2/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H/b12-8-.
What are the key properties of (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7658362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).