3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide

C8H9N7O2S2 — CID 106597665

IUPAC3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCn1nnc(NS(=O)(=O)c2cccnc2C(N)=S)n1
InChIInChI=1S/C8H9N7O2S2/c1-15-12-8(11-14-15)13-19(16,17)5-3-2-4-10-6(5)7(9)18/h2-4H,1H3,(H2,9,18)(H,12,13)
InChIKeyQLLXCRRSGYAIAE-UHFFFAOYSA-N
MW299.34 g/mol
LogP-0.96
Rot. Bonds4

About 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide

3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597665) has the molecular formula C8H9N7O2S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597665
Molecular FormulaC8H9N7O2S2
Molecular Weight299.34 g/mol
Exact Mass299.03
IUPAC Name3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCn1nnc(NS(=O)(=O)c2cccnc2C(N)=S)n1
InChIInChI=1S/C8H9N7O2S2/c1-15-12-8(11-14-15)13-19(16,17)5-3-2-4-10-6(5)7(9)18/h2-4H,1H3,(H2,9,18)(H,12,13)
InChIKeyQLLXCRRSGYAIAE-UHFFFAOYSA-N
XLogP-0.96
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[({[6-(1h-Tetrazol-5-Yl)pyridin-3-Yl]sulfonyl}amino)methyl]boronic Acid
CID 71519580
5-[(4-Pyridin-1-ium-1-ylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide perchlorate
CID 118731312
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde thiosemicarbazone
CID 10870565
N'-(benzenesulfonamido)pyridine-2-carboximidamide
CID 9580411
N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84601039
5-pyridin-2-yl-N-(2H-tetrazol-5-yl)thiophene-2-sulfonamide
CID 172437852
CID 2739051
CID 2739051
3-(1,2,4-Triazol-1-ylsulfonyl)pyridine
CID 171687213
1,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 6465680
pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamide
CID 129823871
6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 136573761

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106597665) is 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide is Cn1nnc(NS(=O)(=O)c2cccnc2C(N)=S)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is QLLXCRRSGYAIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2S2/c1-15-12-8(11-14-15)13-19(16,17)5-3-2-4-10-6(5)7(9)18/h2-4H,1H3,(H2,9,18)(H,12,13).
What are the key properties of 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 299.34 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).