4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one

C12H20N2OS — CID 63312426

IUPAC4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC2CCCNC2)c1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-12(15)14(9)7-5-11-4-3-6-13-8-11/h11,13H,3-8H2,1-2H3
InChIKeyMDADHZXQQYMKET-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds3

About 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one

4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one (PubChem CID 63312426) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
PubChem CID63312426
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC2CCCNC2)c1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-12(15)14(9)7-5-11-4-3-6-13-8-11/h11,13H,3-8H2,1-2H3
InChIKeyMDADHZXQQYMKET-UHFFFAOYSA-N
XLogP1.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one (CID 63312426) is 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one is Cc1sc(=O)n(CCC2CCCNC2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one?
The InChIKey is MDADHZXQQYMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-10(2)16-12(15)14(9)7-5-11-4-3-6-13-8-11/h11,13H,3-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one?
4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one has a molecular weight of 240.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).