3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one

C11H18N2OS — CID 107914210

IUPAC3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCCCC1CCn1ccsc1=O
InChIInChI=1S/C11H18N2OS/c1-12-6-3-2-4-10(12)5-7-13-8-9-15-11(13)14/h8-10H,2-7H2,1H3
InChIKeyXOSDAAIUNJUEDJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.78
Rot. Bonds3

About 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one

3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 107914210) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one
PubChem CID107914210
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCCCC1CCn1ccsc1=O
InChIInChI=1S/C11H18N2OS/c1-12-6-3-2-4-10(12)5-7-13-8-9-15-11(13)14/h8-10H,2-7H2,1H3
InChIKeyXOSDAAIUNJUEDJ-UHFFFAOYSA-N
XLogP1.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Piperidin-2-ylethyl)-1,3-thiazol-2-one
CID 63312601
3-(2-Piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115749765
3-[2-(2-Ethylpiperidin-1-yl)ethyl]-4-methyl-1,3-thiazol-2-one
CID 133730013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one (CID 107914210) is 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one is CN1CCCCC1CCn1ccsc1=O.
What is the InChIKey of 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is XOSDAAIUNJUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-6-3-2-4-10(12)5-7-13-8-9-15-11(13)14/h8-10H,2-7H2,1H3.
What are the key properties of 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one?
3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-2-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 107914210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).