2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C15H26N6O2S — CID 9373194

IUPAC2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n1C
InChIInChI=1S/C15H26N6O2S/c1-11(2)16-13(22)9-20-5-7-21(8-6-20)14(23)10-24-15-18-17-12(3)19(15)4/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyCBFGTXMENGNNOG-UHFFFAOYSA-N
MW354.48 g/mol
LogP-0.12
Rot. Bonds6

About 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 9373194) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID9373194
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC Name2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n1C
InChIInChI=1S/C15H26N6O2S/c1-11(2)16-13(22)9-20-5-7-21(8-6-20)14(23)10-24-15-18-17-12(3)19(15)4/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyCBFGTXMENGNNOG-UHFFFAOYSA-N
XLogP-0.12
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 9373194) is 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n1C.
What is the InChIKey of 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is CBFGTXMENGNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-11(2)16-13(22)9-20-5-7-21(8-6-20)14(23)10-24-15-18-17-12(3)19(15)4/h11H,5-10H2,1-4H3,(H,16,22).
What are the key properties of 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 354.48 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9373194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).