2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

C15H21N7O2S — CID 72910774

IUPAC2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1nc(SCC(=O)N2CCCC(c3nccn3CC(N)=O)C2)n[nH]1
InChIInChI=1S/C15H21N7O2S/c1-10-18-15(20-19-10)25-9-13(24)21-5-2-3-11(7-21)14-17-4-6-22(14)8-12(16)23/h4,6,11H,2-3,5,7-9H2,1H3,(H2,16,23)(H,18,19,20)
InChIKeyRCTWUMKFRGSMJJ-UHFFFAOYSA-N
MW363.45 g/mol
LogP0.29
Rot. Bonds6

About 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72910774) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72910774
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1nc(SCC(=O)N2CCCC(c3nccn3CC(N)=O)C2)n[nH]1
InChIInChI=1S/C15H21N7O2S/c1-10-18-15(20-19-10)25-9-13(24)21-5-2-3-11(7-21)14-17-4-6-22(14)8-12(16)23/h4,6,11H,2-3,5,7-9H2,1H3,(H2,16,23)(H,18,19,20)
InChIKeyRCTWUMKFRGSMJJ-UHFFFAOYSA-N
XLogP0.29
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 72910774) is 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is Cc1nc(SCC(=O)N2CCCC(c3nccn3CC(N)=O)C2)n[nH]1.
What is the InChIKey of 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is RCTWUMKFRGSMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-10-18-15(20-19-10)25-9-13(24)21-5-2-3-11(7-21)14-17-4-6-22(14)8-12(16)23/h4,6,11H,2-3,5,7-9H2,1H3,(H2,16,23)(H,18,19,20).
What are the key properties of 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72910774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).