ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate

C11H16N2O2S — CID 86701983

IUPACethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)9-7-13-10(16-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
InChIKeyGRAYGQYKJKLVCX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate

ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 86701983) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID86701983
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)9-7-13-10(16-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
InChIKeyGRAYGQYKJKLVCX-UHFFFAOYSA-N
XLogP1.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate (CID 86701983) is ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(C2CCNCC2)s1.
What is the InChIKey of ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is GRAYGQYKJKLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-11(14)9-7-13-10(16-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3.
What are the key properties of ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86701983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).