5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide

C13H20N4O2S — CID 171490287

IUPAC5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(CNC2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-9(18)17-5-3-10(4-6-17)15-7-11-8-16-13(20-11)12(19)14-2/h8,10,15H,3-7H2,1-2H3,(H,14,19)
InChIKeyQNPQZAUEIYRDGY-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.60
Rot. Bonds4

About 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide

5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 171490287) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID171490287
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(CNC2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-9(18)17-5-3-10(4-6-17)15-7-11-8-16-13(20-11)12(19)14-2/h8,10,15H,3-7H2,1-2H3,(H,14,19)
InChIKeyQNPQZAUEIYRDGY-UHFFFAOYSA-N
XLogP0.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide (CID 171490287) is 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(CNC2CCN(C(C)=O)CC2)s1.
What is the InChIKey of 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is QNPQZAUEIYRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(18)17-5-3-10(4-6-17)15-7-11-8-16-13(20-11)12(19)14-2/h8,10,15H,3-7H2,1-2H3,(H,14,19).
What are the key properties of 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide?
5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 171490287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).