5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide

C5H8N4O2S2 — CID 79499476

IUPAC5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide
SMILESCS(=O)(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C5H8N4O2S2/c1-13(10,11)9-5-3(4(6)12)2-7-8-5/h2H,1H3,(H2,6,12)(H2,7,8,9)
InChIKeyALJRSARWLZLXIH-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.58
Rot. Bonds3

About 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide

5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide (PubChem CID 79499476) has the molecular formula C5H8N4O2S2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide
PubChem CID79499476
Molecular FormulaC5H8N4O2S2
Molecular Weight220.28 g/mol
Exact Mass220.01
IUPAC Name5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide
SMILESCS(=O)(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C5H8N4O2S2/c1-13(10,11)9-5-3(4(6)12)2-7-8-5/h2H,1H3,(H2,6,12)(H2,7,8,9)
InChIKeyALJRSARWLZLXIH-UHFFFAOYSA-N
XLogP-0.58
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide 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 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide?
The IUPAC name of 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide (CID 79499476) is 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide.
What is the SMILES notation for 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide?
The canonical SMILES for 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide is CS(=O)(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide?
The InChIKey is ALJRSARWLZLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S2/c1-13(10,11)9-5-3(4(6)12)2-7-8-5/h2H,1H3,(H2,6,12)(H2,7,8,9).
What are the key properties of 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide?
5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide has a molecular weight of 220.28 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamido)-1H-pyrazole-4-carbothioamide is sourced from PubChem (CID 79499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).