N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

C6H10N4OS — CID 4547292

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C6H10N4OS/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyRWGYUYBCQJTSED-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.88
Rot. Bonds3

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 4547292) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID4547292
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C6H10N4OS/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyRWGYUYBCQJTSED-UHFFFAOYSA-N
XLogP0.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(Methylthio)-1H-1,2,4-triazol-5-yl)acetamide
CID 1248169
N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide
CID 653191
N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 5307194
ethyl 2-{[3-(propionylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
CID 3802053
N-(3-decylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 3115146
N-(5-Isobutylsulfanyl-1H-[1,2,4]triazol-3-yl)-acetamide
CID 575803
N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 684787
ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
CID 3762357
N-[3-(methylsulfonyl)-1H-1,2,4-triazol-5-yl]acetamide
CID 1275891
3-{[5-(acetylamino)-1H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
CID 45032948
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2,2,2-trifluoroacetamide
CID 108756414
2,2-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 127009528

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (CID 4547292) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is CCSc1n[nH]c(NC(C)=O)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is RWGYUYBCQJTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 186.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 4547292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).