5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide

C10H11N5O2S3 — CID 110401619

IUPAC5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nn3cnnc3s2)s1
InChIInChI=1S/C10H11N5O2S3/c1-7-2-3-9(18-7)20(16,17)12-5-4-8-14-15-6-11-13-10(15)19-8/h2-3,6,12H,4-5H2,1H3
InChIKeyZDPUESGWCIYQHP-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.08
Rot. Bonds5

About 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110401619) has the molecular formula C10H11N5O2S3 and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110401619
Molecular FormulaC10H11N5O2S3
Molecular Weight329.43 g/mol
Exact Mass329.01
IUPAC Name5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nn3cnnc3s2)s1
InChIInChI=1S/C10H11N5O2S3/c1-7-2-3-9(18-7)20(16,17)12-5-4-8-14-15-6-11-13-10(15)19-8/h2-3,6,12H,4-5H2,1H3
InChIKeyZDPUESGWCIYQHP-UHFFFAOYSA-N
XLogP1.08
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401598
4-tert-butyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401647
4-ethoxy-2,5-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401639
1-(4-methylphenyl)sulfonyl-3-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]urea
CID 110401573
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
2,5-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401777
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110717209
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114352159
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
2-(2-methylphenyl)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110672973

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide (CID 110401619) is 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2nn3cnnc3s2)s1.
What is the InChIKey of 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZDPUESGWCIYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S3/c1-7-2-3-9(18-7)20(16,17)12-5-4-8-14-15-6-11-13-10(15)19-8/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110401619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).