2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C14H10N2O2S2 — CID 135463851

IUPAC2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(O)c2)SC1=Cc1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-10-4-1-3-9(7-10)15-14-16-13(18)12(20-14)8-11-5-2-6-19-11/h1-8,17H,(H,15,16,18)
InChIKeyWHFDBPPIYLHAHF-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135463851) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135463851
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(O)c2)SC1=Cc1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-10-4-1-3-9(7-10)15-14-16-13(18)12(20-14)8-11-5-2-6-19-11/h1-8,17H,(H,15,16,18)
InChIKeyWHFDBPPIYLHAHF-UHFFFAOYSA-N
XLogP3.35
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135463851) is 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(O)c2)SC1=Cc1cccs1.
What is the InChIKey of 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WHFDBPPIYLHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c17-10-4-1-3-9(7-10)15-14-16-13(18)12(20-14)8-11-5-2-6-19-11/h1-8,17H,(H,15,16,18).
What are the key properties of 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 302.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135463851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).