N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide

C8H11N3OS — CID 122236766

IUPACN',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c1-11(2)10-7(12)6-4-3-5-9-8(6)13/h3-5H,1-2H3,(H,9,13)(H,10,12)
InChIKeyIXMIJUUYWQQJMN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.95
Rot. Bonds2

About N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide

N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide (PubChem CID 122236766) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
PubChem CID122236766
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H11N3OS/c1-11(2)10-7(12)6-4-3-5-9-8(6)13/h3-5H,1-2H3,(H,9,13)(H,10,12)
InChIKeyIXMIJUUYWQQJMN-UHFFFAOYSA-N
XLogP0.95
TPSA48.13 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide 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-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
2-Mercaptonicotinamide
CID 4143093
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N,N-Dimethyl-2-mercaptonicotinamide
CID 14802390
N,N-Diethyl-1,2-dihydro-2-thioxo-3-pyridinecarboxamide
CID 19808177
N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 139492782
1,2-Dihydropyridine-3-carbohydrazide
CID 141088843
ethane;2-sulfanylidene-1H-pyridine-3-carboxamide
CID 143328316
N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide;hydrate
CID 166523795
curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 170637453

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The IUPAC name of N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide (CID 122236766) is N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide is CN(C)NC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The InChIKey is IXMIJUUYWQQJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-11(2)10-7(12)6-4-3-5-9-8(6)13/h3-5H,1-2H3,(H,9,13)(H,10,12).
What are the key properties of N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide has a molecular weight of 197.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 122236766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).