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

C13H21N3O2S — CID 119492937

IUPAC4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
SMILESCNC1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-13(18)16(9)8-12(17)15-6-4-5-11(7-15)14-3/h11,14H,4-8H2,1-3H3
InChIKeyHNIKZXGRLRYFED-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.74
Rot. Bonds3

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

4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 119492937) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID119492937
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
SMILESCNC1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-13(18)16(9)8-12(17)15-6-4-5-11(7-15)14-3/h11,14H,4-8H2,1-3H3
InChIKeyHNIKZXGRLRYFED-UHFFFAOYSA-N
XLogP0.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 119493471
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
5-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one (CID 119492937) is 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one is CNC1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1.
What is the InChIKey of 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is HNIKZXGRLRYFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-10(2)19-13(18)16(9)8-12(17)15-6-4-5-11(7-15)14-3/h11,14H,4-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 283.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 119492937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).