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

C10H14N2OS — CID 65169259

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
SMILESCc1nc(N2CCC(=O)CC2)sc1C
InChIInChI=1S/C10H14N2OS/c1-7-8(2)14-10(11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3
InChIKeyYKWBPDAVZNYFIJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.93
Rot. Bonds1

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one (PubChem CID 65169259) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
PubChem CID65169259
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
SMILESCc1nc(N2CCC(=O)CC2)sc1C
InChIInChI=1S/C10H14N2OS/c1-7-8(2)14-10(11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3
InChIKeyYKWBPDAVZNYFIJ-UHFFFAOYSA-N
XLogP1.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one (CID 65169259) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one is Cc1nc(N2CCC(=O)CC2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one?
The InChIKey is YKWBPDAVZNYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-8(2)14-10(11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one has a molecular weight of 210.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one is sourced from PubChem (CID 65169259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).