3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C13H14N6O3S2 — CID 110384826

IUPAC3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn12
InChIInChI=1S/C13H14N6O3S2/c1-8-16-17-13-19(8)18-12(23-13)11(20)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5H,6-7H2,1H3,(H,15,20)(H2,14,21,22)
InChIKeyHXFUAMDQNIBZCK-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.11
Rot. Bonds5

About 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384826) has the molecular formula C13H14N6O3S2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384826
Molecular FormulaC13H14N6O3S2
Molecular Weight366.43 g/mol
Exact Mass366.06
IUPAC Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn12
InChIInChI=1S/C13H14N6O3S2/c1-8-16-17-13-19(8)18-12(23-13)11(20)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5H,6-7H2,1H3,(H,15,20)(H2,14,21,22)
InChIKeyHXFUAMDQNIBZCK-UHFFFAOYSA-N
XLogP0.11
TPSA132.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide with MolForge

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Related Compounds

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384816
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
CID 39040917

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384826) is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is Cc1nnc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn12.
What is the InChIKey of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is HXFUAMDQNIBZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3S2/c1-8-16-17-13-19(8)18-12(23-13)11(20)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5H,6-7H2,1H3,(H,15,20)(H2,14,21,22).
What are the key properties of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).