[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate

C21H27N3O3S — CID 3491780

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
SMILESCc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C21H27N3O3S/c1-13-7-9-16(10-8-13)20-17(28-21(22)23-20)11-19(26)27-12-18(25)24-14(2)5-4-6-15(24)3/h7-10,14-15H,4-6,11-12H2,1-3H3,(H2,22,23)
InChIKeyOOYHHUNRQPNUKT-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.58
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate (PubChem CID 3491780) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
PubChem CID3491780
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
SMILESCc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C21H27N3O3S/c1-13-7-9-16(10-8-13)20-17(28-21(22)23-20)11-19(26)27-12-18(25)24-14(2)5-4-6-15(24)3/h7-10,14-15H,4-6,11-12H2,1-3H3,(H2,22,23)
InChIKeyOOYHHUNRQPNUKT-UHFFFAOYSA-N
XLogP3.58
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-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

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617698
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3558570
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356068
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356069
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7901485
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2645173
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729007
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204410
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 24980839
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
CID 7582069

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate (CID 3491780) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate is Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is OOYHHUNRQPNUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-13-7-9-16(10-8-13)20-17(28-21(22)23-20)11-19(26)27-12-18(25)24-14(2)5-4-6-15(24)3/h7-10,14-15H,4-6,11-12H2,1-3H3,(H2,22,23).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 401.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 3491780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).