methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate

C13H20N2O2S — CID 80576726

IUPACmethyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H20N2O2S/c1-9-4-5-15(10(2)6-9)13-14-11(8-18-13)7-12(16)17-3/h8-10H,4-7H2,1-3H3
InChIKeyLKRADTZJMWRNDR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80576726) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80576726
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H20N2O2S/c1-9-4-5-15(10(2)6-9)13-14-11(8-18-13)7-12(16)17-3/h8-10H,4-7H2,1-3H3
InChIKeyLKRADTZJMWRNDR-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515
methyl 2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576582
methyl 3-[2-(3-methylthiomorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
CID 107040403
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427
methyl 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 90150801
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
methyl 2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576981
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 80576726) is methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CCC(C)CC2C)n1.
What is the InChIKey of methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is LKRADTZJMWRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-4-5-15(10(2)6-9)13-14-11(8-18-13)7-12(16)17-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 268.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).