2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide

C15H22N4O2S — CID 84597865

IUPAC2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)c1cccs1
InChIInChI=1S/C15H22N4O2S/c1-10(12-7-6-8-22-12)16-13(20)9-18-11(2)17-19(14(18)21)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,20)
InChIKeyAOFODJNTTNXAFQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.05
Rot. Bonds4

About 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 84597865) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID84597865
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)c1cccs1
InChIInChI=1S/C15H22N4O2S/c1-10(12-7-6-8-22-12)16-13(20)9-18-11(2)17-19(14(18)21)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,20)
InChIKeyAOFODJNTTNXAFQ-UHFFFAOYSA-N
XLogP2.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide with MolForge

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97245769
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 78760067
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 112784056

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 84597865) is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide is Cc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is AOFODJNTTNXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10(12-7-6-8-22-12)16-13(20)9-18-11(2)17-19(14(18)21)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,20).
What are the key properties of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 84597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).