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

C10H14N6OS2 — CID 975045

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nc(SCC(=O)Nc2nnc(CC)s2)n[nH]1
InChIInChI=1S/C10H14N6OS2/c1-3-6-11-9(15-13-6)18-5-7(17)12-10-16-14-8(4-2)19-10/h3-5H2,1-2H3,(H,11,13,15)(H,12,16,17)
InChIKeyKFYRCFMQAHBVDB-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.51
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 975045) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID975045
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nc(SCC(=O)Nc2nnc(CC)s2)n[nH]1
InChIInChI=1S/C10H14N6OS2/c1-3-6-11-9(15-13-6)18-5-7(17)12-10-16-14-8(4-2)19-10/h3-5H2,1-2H3,(H,11,13,15)(H,12,16,17)
InChIKeyKFYRCFMQAHBVDB-UHFFFAOYSA-N
XLogP1.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.51
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-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2033429
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2258276
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

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 975045) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1nc(SCC(=O)Nc2nnc(CC)s2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is KFYRCFMQAHBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-3-6-11-9(15-13-6)18-5-7(17)12-10-16-14-8(4-2)19-10/h3-5H2,1-2H3,(H,11,13,15)(H,12,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 298.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 975045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).