3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide

C9H10N6O2S2 — CID 106597668

IUPAC3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCn1ncnc1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C9H10N6O2S2/c1-15-9(12-5-13-15)14-19(16,17)6-3-2-4-11-7(6)8(10)18/h2-5H,1H3,(H2,10,18)(H,12,13,14)
InChIKeyVEQLWXYZACNULT-UHFFFAOYSA-N
MW298.35 g/mol
LogP-0.35
Rot. Bonds4

About 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide

3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597668) has the molecular formula C9H10N6O2S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597668
Molecular FormulaC9H10N6O2S2
Molecular Weight298.35 g/mol
Exact Mass298.03
IUPAC Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCn1ncnc1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C9H10N6O2S2/c1-15-9(12-5-13-15)14-19(16,17)6-3-2-4-11-7(6)8(10)18/h2-5H,1H3,(H2,10,18)(H,12,13,14)
InChIKeyVEQLWXYZACNULT-UHFFFAOYSA-N
XLogP-0.35
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide
CID 73352538
N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84601039
3-(1,2,4-Triazol-1-ylsulfonyl)pyridine
CID 171687213
4-[2-(2-(1,2,4-Triazol-4-yl)-2-azavinyl)pyrrolyl]benzenesulfonamide
CID 672366
3-{[2-(4-Propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]sulfonyl}pyridine
CID 87052146
N-(5-amino-1h-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
CID 167530436
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 121567925
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
CID 125436272
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 125446416
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 164627567
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 164634511
6-[5-Pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
CID 10287073

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106597668) is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide is Cn1ncnc1NS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is VEQLWXYZACNULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S2/c1-15-9(12-5-13-15)14-19(16,17)6-3-2-4-11-7(6)8(10)18/h2-5H,1H3,(H2,10,18)(H,12,13,14).
What are the key properties of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 298.35 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).