2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide

C15H25N5OS — CID 71861531

IUPAC2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(CN(C)c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H25N5OS/c1-16-13(21)10-20-7-5-11(6-8-20)9-19(2)15-17-14(18-22-15)12-3-4-12/h11-12H,3-10H2,1-2H3,(H,16,21)
InChIKeyKXIYNUNNPWNPJK-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide

2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 71861531) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID71861531
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(CN(C)c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H25N5OS/c1-16-13(21)10-20-7-5-11(6-8-20)9-19(2)15-17-14(18-22-15)12-3-4-12/h11-12H,3-10H2,1-2H3,(H,16,21)
InChIKeyKXIYNUNNPWNPJK-UHFFFAOYSA-N
XLogP1.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide 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-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide (CID 71861531) is 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(CN(C)c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is KXIYNUNNPWNPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-16-13(21)10-20-7-5-11(6-8-20)9-19(2)15-17-14(18-22-15)12-3-4-12/h11-12H,3-10H2,1-2H3,(H,16,21).
What are the key properties of 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 323.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 71861531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).