4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

C10H14N2O2S — CID 106381567

IUPAC4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(=O)CCN1Cc1csc(=O)[nH]1
InChIInChI=1S/C10H14N2O2S/c1-7-4-9(13)2-3-12(7)5-8-6-15-10(14)11-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyDJVXXIMIGZKBCQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.99
Rot. Bonds2

About 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381567) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381567
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(=O)CCN1Cc1csc(=O)[nH]1
InChIInChI=1S/C10H14N2O2S/c1-7-4-9(13)2-3-12(7)5-8-6-15-10(14)11-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyDJVXXIMIGZKBCQ-UHFFFAOYSA-N
XLogP0.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381551
4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381565
4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383596
4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383650
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327
4-[[3-(methylamino)piperidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106383562
3-cyclopropyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383741
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383533
2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
CID 63829947
(2S)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-one
CID 18660111
6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 106383723
1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
CID 54975474

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106381567) is 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC1CC(=O)CCN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DJVXXIMIGZKBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-4-9(13)2-3-12(7)5-8-6-15-10(14)11-8/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).