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

C8H10N6OS2 — CID 582062

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1
InChIInChI=1S/C8H10N6OS2/c1-4-9-7(13-11-4)16-3-6(15)10-8-14-12-5(2)17-8/h3H2,1-2H3,(H,9,11,13)(H,10,14,15)
InChIKeyALENJTKAYOUQDT-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.00
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 582062) has the molecular formula C8H10N6OS2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID582062
Molecular FormulaC8H10N6OS2
Molecular Weight270.34 g/mol
Exact Mass270.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1
InChIInChI=1S/C8H10N6OS2/c1-4-9-7(13-11-4)16-3-6(15)10-8-14-12-5(2)17-8/h3H2,1-2H3,(H,9,11,13)(H,10,14,15)
InChIKeyALENJTKAYOUQDT-UHFFFAOYSA-N
XLogP1.00
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.00
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-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 1303437
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
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 699029
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1122122
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 969741
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 975045
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1255829

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 582062) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ALENJTKAYOUQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS2/c1-4-9-7(13-11-4)16-3-6(15)10-8-14-12-5(2)17-8/h3H2,1-2H3,(H,9,11,13)(H,10,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 582062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).