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

C14H9NO3S2 — CID 4753336

IUPAC3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2cccs2)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
InChIKeyCPTJUWSHVPCALW-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.69
Rot. Bonds2

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

3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 4753336) has the molecular formula C14H9NO3S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID4753336
Molecular FormulaC14H9NO3S2
Molecular Weight303.36 g/mol
Exact Mass303.00
IUPAC Name3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2cccs2)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
InChIKeyCPTJUWSHVPCALW-UHFFFAOYSA-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 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 4753336) is 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2cccs2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is CPTJUWSHVPCALW-UHFFFAOYSA-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.
What are the key properties of 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
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 3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).