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

C11H15ClN2O2S — CID 97035612

IUPACethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCCCC2)sc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-16-10(15)8-9(12)17-11(13-8)14-6-4-3-5-7-14/h2-7H2,1H3
InChIKeyLFSDTSMTVCEDML-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.96
Rot. Bonds3

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

ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate (PubChem CID 97035612) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
PubChem CID97035612
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Nameethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCCCC2)sc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-16-10(15)8-9(12)17-11(13-8)14-6-4-3-5-7-14/h2-7H2,1H3
InChIKeyLFSDTSMTVCEDML-UHFFFAOYSA-N
XLogP2.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate (CID 97035612) is ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N2CCCCC2)sc1Cl.
What is the InChIKey of ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate?
The InChIKey is LFSDTSMTVCEDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-16-10(15)8-9(12)17-11(13-8)14-6-4-3-5-7-14/h2-7H2,1H3.
What are the key properties of ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate?
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate has a molecular weight of 274.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 97035612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).