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

C13H20N2O2S — CID 113306720

IUPACmethyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC1CCCCN1c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H20N2O2S/c1-4-10-7-5-6-8-15(10)13-14-11(9(2)18-13)12(16)17-3/h10H,4-8H2,1-3H3
InChIKeyDWBHDMHSSKAPKP-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.01
Rot. Bonds3

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

methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 113306720) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID113306720
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC1CCCCN1c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H20N2O2S/c1-4-10-7-5-6-8-15(10)13-14-11(9(2)18-13)12(16)17-3/h10H,4-8H2,1-3H3
InChIKeyDWBHDMHSSKAPKP-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 82751409
methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424074
methyl 2-(4-ethylazepan-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307228
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423688
methyl 5-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115424355
methyl 5-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazole-4-carboxylate
CID 115424829
methyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423873
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511124
methyl 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424762

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 113306720) is methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate is CCC1CCCCN1c1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is DWBHDMHSSKAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-10-7-5-6-8-15(10)13-14-11(9(2)18-13)12(16)17-3/h10H,4-8H2,1-3H3.
What are the key properties of methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).