4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H17N3O2S — CID 106379773

IUPAC4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2S/c1-8(15)14-4-2-9(3-5-14)12-6-10-7-17-11(16)13-10/h7,9,12H,2-6H2,1H3,(H,13,16)
InChIKeyHLQKDXPEDZOECI-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.54
Rot. Bonds3

About 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379773) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379773
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2S/c1-8(15)14-4-2-9(3-5-14)12-6-10-7-17-11(16)13-10/h7,9,12H,2-6H2,1H3,(H,13,16)
InChIKeyHLQKDXPEDZOECI-UHFFFAOYSA-N
XLogP0.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379773) is 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HLQKDXPEDZOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(15)14-4-2-9(3-5-14)12-6-10-7-17-11(16)13-10/h7,9,12H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).