3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide

C6H8N6O2S2 — CID 137166908

IUPAC3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
SMILESCCc1nnsc1-c1n[nH]c(S(N)(=O)=O)n1
InChIInChI=1S/C6H8N6O2S2/c1-2-3-4(15-12-9-3)5-8-6(11-10-5)16(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,10,11)
InChIKeyXXXZEWCYQKLASG-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.47
Rot. Bonds3

About 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide

3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 137166908) has the molecular formula C6H8N6O2S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound Name3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
PubChem CID137166908
Molecular FormulaC6H8N6O2S2
Molecular Weight260.30 g/mol
Exact Mass260.02
IUPAC Name3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
SMILESCCc1nnsc1-c1n[nH]c(S(N)(=O)=O)n1
InChIInChI=1S/C6H8N6O2S2/c1-2-3-4(15-12-9-3)5-8-6(11-10-5)16(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,10,11)
InChIKeyXXXZEWCYQKLASG-UHFFFAOYSA-N
XLogP-0.47
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 137166902
3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 103407325
3-(2,3,4,5,6-pentafluorophenyl)-1H-1,2,4-triazole-5-sulfonamide
CID 113366465
4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine
CID 83240574
3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 104673255
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
2-bromo-5-(4-ethylthiadiazol-5-yl)-1,3,4-thiadiazole
CID 65207890
4-ethylthiadiazole-5-carboxamide
CID 45084470
4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
CID 66044622
3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-sulfonamide
CID 113366463
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65207878

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide (CID 137166908) is 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide is CCc1nnsc1-c1n[nH]c(S(N)(=O)=O)n1.
What is the InChIKey of 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is XXXZEWCYQKLASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S2/c1-2-3-4(15-12-9-3)5-8-6(11-10-5)16(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,10,11).
What are the key properties of 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide?
3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 260.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 137166908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).