2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide

C6H9N3OS — CID 61393731

IUPAC2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
SMILESCSCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H9N3OS/c1-11-4-6(10)8-5-2-3-7-9-5/h2-3H,4H2,1H3,(H2,7,8,9,10)
InChIKeyKMCMWHMLJWGOEN-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.71
Rot. Bonds3

About 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide

2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393731) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393731
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
SMILESCSCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H9N3OS/c1-11-4-6(10)8-5-2-3-7-9-5/h2-3H,4H2,1H3,(H2,7,8,9,10)
InChIKeyKMCMWHMLJWGOEN-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide 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

2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876
2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide
CID 84551771
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 47388358
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
3-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393399
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942344
3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide (CID 61393731) is 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide is CSCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is KMCMWHMLJWGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-11-4-6(10)8-5-2-3-7-9-5/h2-3H,4H2,1H3,(H2,7,8,9,10).
What are the key properties of 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 171.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).