2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

C7H11N5O2S — CID 9378524

IUPAC2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCn1cnnc1SCC(=O)NCC(N)=O
InChIInChI=1S/C7H11N5O2S/c1-12-4-10-11-7(12)15-3-6(14)9-2-5(8)13/h4H,2-3H2,1H3,(H2,8,13)(H,9,14)
InChIKeyQAFVSLITPUECEZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-1.49
Rot. Bonds5

About 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 9378524) has the molecular formula C7H11N5O2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID9378524
Molecular FormulaC7H11N5O2S
Molecular Weight229.26 g/mol
Exact Mass229.06
IUPAC Name2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCn1cnnc1SCC(=O)NCC(N)=O
InChIInChI=1S/C7H11N5O2S/c1-12-4-10-11-7(12)15-3-6(14)9-2-5(8)13/h4H,2-3H2,1H3,(H2,8,13)(H,9,14)
InChIKeyQAFVSLITPUECEZ-UHFFFAOYSA-N
XLogP-1.49
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
2-((4-Methyl-4h-1,2,4-triazol-3-yl)thio)acetamide
CID 1510649
2-[3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 25640156
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78763780
2-[(2-Methyl-1,2,4-triazol-3-YL)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 86790581
N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71797992
N-[2-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethyl]-(R)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986292
2-(3-Methylsulfanyl-1,2,4-triazol-4-yl)acetamide
CID 67827880
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2515116
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625008
Ethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
CID 3682359
N,N-diethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4520727

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 9378524) is 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is Cn1cnnc1SCC(=O)NCC(N)=O.
What is the InChIKey of 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is QAFVSLITPUECEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c1-12-4-10-11-7(12)15-3-6(14)9-2-5(8)13/h4H,2-3H2,1H3,(H2,8,13)(H,9,14).
What are the key properties of 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 229.26 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9378524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).