3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one

C9H14N2OS — CID 63312551

IUPAC3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCCCN1
InChIInChI=1S/C9H14N2OS/c12-9-11(5-6-13-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2
InChIKeyLEUWKTXGWZLKEH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.05
Rot. Bonds2

About 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one

3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one (PubChem CID 63312551) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
PubChem CID63312551
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCCCN1
InChIInChI=1S/C9H14N2OS/c12-9-11(5-6-13-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2
InChIKeyLEUWKTXGWZLKEH-UHFFFAOYSA-N
XLogP1.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one (CID 63312551) is 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one is O=c1sccn1CC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is LEUWKTXGWZLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9-11(5-6-13-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2.
What are the key properties of 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one?
3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).