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

C13H20N2O2S — CID 113459519

IUPACethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CCCCN2)nc1CC
InChIInChI=1S/C13H20N2O2S/c1-3-9-11(13(16)17-4-2)18-12(15-9)10-7-5-6-8-14-10/h10,14H,3-8H2,1-2H3
InChIKeyOCOPCPASFZTNAC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.70
Rot. Bonds4

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

ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 113459519) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID113459519
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CCCCN2)nc1CC
InChIInChI=1S/C13H20N2O2S/c1-3-9-11(13(16)17-4-2)18-12(15-9)10-7-5-6-8-14-10/h10,14H,3-8H2,1-2H3
InChIKeyOCOPCPASFZTNAC-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate (CID 113459519) is ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2CCCCN2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OCOPCPASFZTNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-9-11(13(16)17-4-2)18-12(15-9)10-7-5-6-8-14-10/h10,14H,3-8H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 113459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).