2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C10H13N7O3S — CID 16765433

IUPAC2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1-c1nonc1NC(C)=O
InChIInChI=1S/C10H13N7O3S/c1-3-17-9(13-14-10(17)21-4-6(11)19)7-8(12-5(2)18)16-20-15-7/h3-4H2,1-2H3,(H2,11,19)(H,12,16,18)
InChIKeyGHLJNZKPWMFRKL-UHFFFAOYSA-N
MW311.33 g/mol
LogP-0.12
Rot. Bonds6

About 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 16765433) has the molecular formula C10H13N7O3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID16765433
Molecular FormulaC10H13N7O3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1-c1nonc1NC(C)=O
InChIInChI=1S/C10H13N7O3S/c1-3-17-9(13-14-10(17)21-4-6(11)19)7-8(12-5(2)18)16-20-15-7/h3-4H2,1-2H3,(H2,11,19)(H,12,16,18)
InChIKeyGHLJNZKPWMFRKL-UHFFFAOYSA-N
XLogP-0.12
TPSA141.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 23610323
N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 16765387
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 23610357
N-[4-[5-(3-cyanopropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 46263135
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 16765397
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 16765416
ethyl 2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 8708304
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 865377
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 16765456
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 23610349
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1071854
2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19619600

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 16765433) is 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(N)=O)nnc1-c1nonc1NC(C)=O.
What is the InChIKey of 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is GHLJNZKPWMFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3S/c1-3-17-9(13-14-10(17)21-4-6(11)19)7-8(12-5(2)18)16-20-15-7/h3-4H2,1-2H3,(H2,11,19)(H,12,16,18).
What are the key properties of 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 311.33 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16765433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).