2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide

C14H12N4O2S — CID 135938483

IUPAC2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccn1)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C14H12N4O2S/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+
InChIKeyXGEKVHKDEXQVFT-CXUHLZMHSA-N
MW300.34 g/mol
LogP1.68
Rot. Bonds3

About 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide

2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide (PubChem CID 135938483) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide
PubChem CID135938483
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccn1)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C14H12N4O2S/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+
InChIKeyXGEKVHKDEXQVFT-CXUHLZMHSA-N
XLogP1.68
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
N'-[(2-hydroxyphenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 2248739
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3037709
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide?
The IUPAC name of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide (CID 135938483) is 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide?
The canonical SMILES for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide is O=C(Nc1ccccn1)C(=S)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide?
The InChIKey is XGEKVHKDEXQVFT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+.
What are the key properties of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide?
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide has a molecular weight of 300.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 135938483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).