2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide

C15H28N6OS — CID 37324380

IUPAC2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnc(C(C)(C)C)n2N)CC1
InChIInChI=1S/C15H28N6OS/c1-5-20-8-6-11(7-9-20)17-12(22)10-23-14-19-18-13(21(14)16)15(2,3)4/h11H,5-10,16H2,1-4H3,(H,17,22)
InChIKeyQZIVAJHVUGDTTI-UHFFFAOYSA-N
MW340.50 g/mol
LogP0.98
Rot. Bonds5

About 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide

2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 37324380) has the molecular formula C15H28N6OS and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID37324380
Molecular FormulaC15H28N6OS
Molecular Weight340.50 g/mol
Exact Mass340.20
IUPAC Name2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnc(C(C)(C)C)n2N)CC1
InChIInChI=1S/C15H28N6OS/c1-5-20-8-6-11(7-9-20)17-12(22)10-23-14-19-18-13(21(14)16)15(2,3)4/h11H,5-10,16H2,1-4H3,(H,17,22)
InChIKeyQZIVAJHVUGDTTI-UHFFFAOYSA-N
XLogP0.98
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide with MolForge

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Related Compounds

2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 37324425
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674917
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 8828799
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 78765104
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-tert-butylphenyl)acetamide
CID 7876448
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7846445
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 7845385
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
N-(1-ethylpiperidin-4-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8693588
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 78764935
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 7876445

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide (CID 37324380) is 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2nnc(C(C)(C)C)n2N)CC1.
What is the InChIKey of 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is QZIVAJHVUGDTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6OS/c1-5-20-8-6-11(7-9-20)17-12(22)10-23-14-19-18-13(21(14)16)15(2,3)4/h11H,5-10,16H2,1-4H3,(H,17,22).
What are the key properties of 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 340.50 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 37324380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).