2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide

C13H20N4O2S — CID 110090225

IUPAC2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H20N4O2S/c1-9(18)16-12(13-15-4-7-20-13)10-2-5-17(6-3-10)8-11(14)19/h4,7,10,12H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyAVDDVFGFKRZWQZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.52
Rot. Bonds5

About 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide

2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 110090225) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
PubChem CID110090225
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H20N4O2S/c1-9(18)16-12(13-15-4-7-20-13)10-2-5-17(6-3-10)8-11(14)19/h4,7,10,12H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyAVDDVFGFKRZWQZ-UHFFFAOYSA-N
XLogP0.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide (CID 110090225) is 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide is CC(=O)NC(c1nccs1)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is AVDDVFGFKRZWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(18)16-12(13-15-4-7-20-13)10-2-5-17(6-3-10)8-11(14)19/h4,7,10,12H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide?
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 296.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110090225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).