methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

C13H20N2O2S — CID 80570547

IUPACmethyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC1CCCN(c2nc(C)c(C(=O)OC)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-4-10-6-5-7-15(8-10)13-14-9(2)11(18-13)12(16)17-3/h10H,4-8H2,1-3H3
InChIKeyBZKPXWUALBRJQI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80570547) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80570547
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC1CCCN(c2nc(C)c(C(=O)OC)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-4-10-6-5-7-15(8-10)13-14-9(2)11(18-13)12(16)17-3/h10H,4-8H2,1-3H3
InChIKeyBZKPXWUALBRJQI-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
methyl 2-(4-ethylazepan-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307228
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637
4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106587519
4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 107509470
4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106589586
methyl 2-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate;dihydrochloride
CID 167828237
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 80570547) is methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCC1CCCN(c2nc(C)c(C(=O)OC)s2)C1.
What is the InChIKey of methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BZKPXWUALBRJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-10-6-5-7-15(8-10)13-14-9(2)11(18-13)12(16)17-3/h10H,4-8H2,1-3H3.
What are the key properties of methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).