2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C8H10N6OS2 — CID 1255829

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nncs2)n[nH]1
InChIInChI=1S/C8H10N6OS2/c1-2-5-10-7(14-12-5)16-3-6(15)11-8-13-9-4-17-8/h4H,2-3H2,1H3,(H,10,12,14)(H,11,13,15)
InChIKeyYYACCIOCSBFDTN-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.95
Rot. Bonds5

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1255829) has the molecular formula C8H10N6OS2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1255829
Molecular FormulaC8H10N6OS2
Molecular Weight270.34 g/mol
Exact Mass270.04
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nncs2)n[nH]1
InChIInChI=1S/C8H10N6OS2/c1-2-5-10-7(14-12-5)16-3-6(15)11-8-13-9-4-17-8/h4H,2-3H2,1H3,(H,10,12,14)(H,11,13,15)
InChIKeyYYACCIOCSBFDTN-UHFFFAOYSA-N
XLogP0.95
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2215160
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 6492034
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 767229
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 1303437
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2258276
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6468699
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 750824
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2986125
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 975703
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2215350
2-(5-Ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 6492035
2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1238478

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 1255829) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CCc1nc(SCC(=O)Nc2nncs2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YYACCIOCSBFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS2/c1-2-5-10-7(14-12-5)16-3-6(15)11-8-13-9-4-17-8/h4H,2-3H2,1H3,(H,10,12,14)(H,11,13,15).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1255829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).