N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide

C6H9N3S — CID 10261310

IUPACN-(5-methyl-1H-pyrazol-3-yl)ethanethioamide
SMILESCC(=S)Nc1cc(C)[nH]n1
InChIInChI=1S/C6H9N3S/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyOBXYBSVLYKJSMN-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.48
Rot. Bonds1

About N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide

N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide (PubChem CID 10261310) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)ethanethioamide
PubChem CID10261310
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)ethanethioamide
SMILESCC(=S)Nc1cc(C)[nH]n1
InChIInChI=1S/C6H9N3S/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyOBXYBSVLYKJSMN-UHFFFAOYSA-N
XLogP1.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide (CID 10261310) is N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide is CC(=S)Nc1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide?
The InChIKey is OBXYBSVLYKJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide?
N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide has a molecular weight of 155.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)ethanethioamide is sourced from PubChem (CID 10261310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).