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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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).