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

C12H19ClN2O2S — CID 170907106

IUPACethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C2CCNCC2)nc1C.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-3-16-12(15)10-8(2)14-11(17-10)9-4-6-13-7-5-9;/h9,13H,3-7H2,1-2H3;1H
InChIKeyXTMAGBZZOMJKAC-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.52
Rot. Bonds3

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

ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 170907106) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID170907106
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Nameethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C2CCNCC2)nc1C.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-3-16-12(15)10-8(2)14-11(17-10)9-4-6-13-7-5-9;/h9,13H,3-7H2,1-2H3;1H
InChIKeyXTMAGBZZOMJKAC-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride (CID 170907106) is ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride is CCOC(=O)c1sc(C2CCNCC2)nc1C.Cl.
What is the InChIKey of ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is XTMAGBZZOMJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-3-16-12(15)10-8(2)14-11(17-10)9-4-6-13-7-5-9;/h9,13H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 170907106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).