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

C14H10N2O2S2 — CID 135870759

IUPAC(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(O)c2)S/C1=C/c1cccs1
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)/b12-8+
InChIKeyWHFDBPPIYLHAHF-XYOKQWHBSA-N
MW302.38 g/mol
LogP3.35
Rot. Bonds2

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

(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135870759) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135870759
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(O)c2)S/C1=C/c1cccs1
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)/b12-8+
InChIKeyWHFDBPPIYLHAHF-XYOKQWHBSA-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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Related Compounds

2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135498605
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137044010
2-[(E)-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135935138
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135935111
(5E)-2-(3-hydroxyphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135555405
(5Z)-2-(4-ethoxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136736934
(5Z)-2-(3-hydroxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529570
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563100
2-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834503
N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide
CID 137131206
4-methyl-3-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765886

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135870759) is (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(O)c2)S/C1=C/c1cccs1.
What is the InChIKey of (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WHFDBPPIYLHAHF-XYOKQWHBSA-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)/b12-8+.
What are the key properties of (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-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 (5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135870759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).