2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one

C10H9N3O2S — CID 135788563

IUPAC2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
SMILESO=C1CSC(/N=C/c2ccccc2O)=NN1
InChIInChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-10-13-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,15)/b11-5+
InChIKeyTWZCADJBZXWILY-VZUCSPMQSA-N
MW235.27 g/mol
LogP0.95
Rot. Bonds1

About 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one

2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one (PubChem CID 135788563) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one.

Molecular Properties

Compound Name2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
PubChem CID135788563
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
SMILESO=C1CSC(/N=C/c2ccccc2O)=NN1
InChIInChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-10-13-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,15)/b11-5+
InChIKeyTWZCADJBZXWILY-VZUCSPMQSA-N
XLogP0.95
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
o-Hydroxybenzylideneaminorhodanine
CID 97410
Rhodanine, 3-salicylideneamino-
CID 135473713
N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dithiane-2-carboxamide
CID 135520023
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)sulfanyl]propanehydrazide
CID 135521601
(2E)-2-[(E)-(5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066070
(E)-2-((E)-(4-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135886854
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 232434
N-[(2-hydroxyphenyl)methylideneamino]-3-[3-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 232436
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio]-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135412057

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one (CID 135788563) is 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one.
What is the SMILES notation for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The canonical SMILES for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one is O=C1CSC(/N=C/c2ccccc2O)=NN1.
What is the InChIKey of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The InChIKey is TWZCADJBZXWILY-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-10-13-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,15)/b11-5+.
What are the key properties of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one has a molecular weight of 235.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one is sourced from PubChem (CID 135788563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).