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

C11H16N2O2S — CID 59679265

IUPACmethyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)10-12-7-9(16-10)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyHFQOHEDMMHRZIT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.74
Rot. Bonds2

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

methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 59679265) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID59679265
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)10-12-7-9(16-10)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyHFQOHEDMMHRZIT-UHFFFAOYSA-N
XLogP1.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate (CID 59679265) is methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CCN(C)CC2)s1.
What is the InChIKey of methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is HFQOHEDMMHRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)10-12-7-9(16-10)11(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).