N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide

C8H11N3OS — CID 139492782

IUPACN-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCCN(N)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c1-2-11(9)8(12)6-4-3-5-10-7(6)13/h3-5H,2,9H2,1H3,(H,10,13)
InChIKeyZOZIJKLQYQYYQH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.08
Rot. Bonds2

About N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide

N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide (PubChem CID 139492782) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
PubChem CID139492782
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCCN(N)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c1-2-11(9)8(12)6-4-3-5-10-7(6)13/h3-5H,2,9H2,1H3,(H,10,13)
InChIKeyZOZIJKLQYQYYQH-UHFFFAOYSA-N
XLogP1.08
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
N-(3-methylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 24044542
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502199
N,N-Dimethyl-2-mercaptonicotinamide
CID 14802390
N,N-Diethyl-1,2-dihydro-2-thioxo-3-pyridinecarboxamide
CID 19808177
N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The IUPAC name of N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide (CID 139492782) is N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide is CCN(N)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The InChIKey is ZOZIJKLQYQYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-11(9)8(12)6-4-3-5-10-7(6)13/h3-5H,2,9H2,1H3,(H,10,13).
What are the key properties of N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide has a molecular weight of 197.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 139492782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).