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

C14H22N2O2S — CID 80576933

IUPACmethyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCCC1CCN(c2nc(CC(=O)OC)cs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-11-5-7-16(8-6-11)14-15-12(10-19-14)9-13(17)18-2/h10-11H,3-9H2,1-2H3
InChIKeyCLYIIKYDHBYVDG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.88
Rot. Bonds5

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

methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80576933) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80576933
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCCC1CCN(c2nc(CC(=O)OC)cs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-11-5-7-16(8-6-11)14-15-12(10-19-14)9-13(17)18-2/h10-11H,3-9H2,1-2H3
InChIKeyCLYIIKYDHBYVDG-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515
methyl 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 90150801
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427
methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040390
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
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 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576726
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
CID 80576545
4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
CID 79398816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 80576933) is methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate is CCCC1CCN(c2nc(CC(=O)OC)cs2)CC1.
What is the InChIKey of methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is CLYIIKYDHBYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-11-5-7-16(8-6-11)14-15-12(10-19-14)9-13(17)18-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 282.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).