2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

C13H17N5OS — CID 916391

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-20-13-15-12(14)16-17-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyCWVHLDIVIVACAY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 916391) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID916391
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-20-13-15-12(14)16-17-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyCWVHLDIVIVACAY-UHFFFAOYSA-N
XLogP1.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
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CID 1083046
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
1-phenyl-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
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N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
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5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4-phenyl-4H-1,2,4-triazol-3-amine
CID 980303
N-[4-(acetylamino)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2223265
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
CID 2395906
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 916391) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1n[nH]c(N)n1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is CWVHLDIVIVACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-20-13-15-12(14)16-17-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 916391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).