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

C6H10N4O2S2 — CID 79499588

IUPAC5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide
SMILESCCS(=O)(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C6H10N4O2S2/c1-2-14(11,12)10-6-4(5(7)13)3-8-9-6/h3H,2H2,1H3,(H2,7,13)(H2,8,9,10)
InChIKeySHEOHTQXIQGXDS-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.19
Rot. Bonds4

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

5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide (PubChem CID 79499588) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide
PubChem CID79499588
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide
SMILESCCS(=O)(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C6H10N4O2S2/c1-2-14(11,12)10-6-4(5(7)13)3-8-9-6/h3H,2H2,1H3,(H2,7,13)(H2,8,9,10)
InChIKeySHEOHTQXIQGXDS-UHFFFAOYSA-N
XLogP-0.19
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(ethylsulfonylamino)-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-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The IUPAC name of 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide (CID 79499588) is 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide.
What is the SMILES notation for 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The canonical SMILES for 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide is CCS(=O)(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The InChIKey is SHEOHTQXIQGXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c1-2-14(11,12)10-6-4(5(7)13)3-8-9-6/h3H,2H2,1H3,(H2,7,13)(H2,8,9,10).
What are the key properties of 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide?
5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide has a molecular weight of 234.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfonylamino)-1H-pyrazole-4-carbothioamide is sourced from PubChem (CID 79499588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).