2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C14H24N6O2S — CID 9378496

IUPAC2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CSc2nncn2C)CC1
InChIInChI=1S/C14H24N6O2S/c1-11(2)16-12(21)8-19-4-6-20(7-5-19)13(22)9-23-14-17-15-10-18(14)3/h10-11H,4-9H2,1-3H3,(H,16,21)
InChIKeyWOBFEWDVJFGDIR-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.42
Rot. Bonds6

About 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 9378496) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID9378496
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC Name2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CSc2nncn2C)CC1
InChIInChI=1S/C14H24N6O2S/c1-11(2)16-12(21)8-19-4-6-20(7-5-19)13(22)9-23-14-17-15-10-18(14)3/h10-11H,4-9H2,1-3H3,(H,16,21)
InChIKeyWOBFEWDVJFGDIR-UHFFFAOYSA-N
XLogP-0.42
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
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
(3R)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68985524
(3R)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperazine-1-carboxylic acid
CID 68985525
N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819749
N-(2-methylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 7352431
N-(ethylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352440
N-cyclopropyl-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 7352483
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 9378496) is 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)CSc2nncn2C)CC1.
What is the InChIKey of 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WOBFEWDVJFGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-11(2)16-12(21)8-19-4-6-20(7-5-19)13(22)9-23-14-17-15-10-18(14)3/h10-11H,4-9H2,1-3H3,(H,16,21).
What are the key properties of 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 340.45 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).