2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide

C13H14N4OS — CID 63590815

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ncccc1N)c1ccccc1
InChIInChI=1S/C13H14N4OS/c14-10-7-4-8-16-13(10)19-11(12(18)17-15)9-5-2-1-3-6-9/h1-8,11H,14-15H2,(H,17,18)
InChIKeyJMEBXUNDIYLKFR-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.49
Rot. Bonds4

About 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide

2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide (PubChem CID 63590815) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
PubChem CID63590815
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ncccc1N)c1ccccc1
InChIInChI=1S/C13H14N4OS/c14-10-7-4-8-16-13(10)19-11(12(18)17-15)9-5-2-1-3-6-9/h1-8,11H,14-15H2,(H,17,18)
InChIKeyJMEBXUNDIYLKFR-UHFFFAOYSA-N
XLogP1.49
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]butanehydrazide
CID 63590814
2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
3-[(3-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61319672
(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9108985
2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetohydrazide
CID 63581169
2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
CID 63581022
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
CID 63581501
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetohydrazide
CID 63579952
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide (CID 63590815) is 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide is NNC(=O)C(Sc1ncccc1N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide?
The InChIKey is JMEBXUNDIYLKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-10-7-4-8-16-13(10)19-11(12(18)17-15)9-5-2-1-3-6-9/h1-8,11H,14-15H2,(H,17,18).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide?
2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide has a molecular weight of 274.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide is sourced from PubChem (CID 63590815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).