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

C11H16N2OS — CID 104679113

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one
SMILESCc1nc(CC2CCCNC2=O)sc1C
InChIInChI=1S/C11H16N2OS/c1-7-8(2)15-10(13-7)6-9-4-3-5-12-11(9)14/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeyUOKCUWFYCIWXJC-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.83
Rot. Bonds2

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

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one (PubChem CID 104679113) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one
PubChem CID104679113
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one
SMILESCc1nc(CC2CCCNC2=O)sc1C
InChIInChI=1S/C11H16N2OS/c1-7-8(2)15-10(13-7)6-9-4-3-5-12-11(9)14/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeyUOKCUWFYCIWXJC-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
CID 150666174
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-2-one
CID 104679197
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
CID 104679143
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103062148
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
3-but-2-ynylpiperidin-2-one
CID 104679069
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one (CID 104679113) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one is Cc1nc(CC2CCCNC2=O)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one?
The InChIKey is UOKCUWFYCIWXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-8(2)15-10(13-7)6-9-4-3-5-12-11(9)14/h9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 104679113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).