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

C10H15ClN2O2S — CID 126820113

IUPACmethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(C2CCNCC2)s1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H
InChIKeyYIBYEKJQFKBJMY-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.82
Rot. Bonds2

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

methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 126820113) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID126820113
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Namemethyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(C2CCNCC2)s1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H
InChIKeyYIBYEKJQFKBJMY-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride (CID 126820113) is methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride is COC(=O)c1cnc(C2CCNCC2)s1.Cl.
What is the InChIKey of methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is YIBYEKJQFKBJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H.
What are the key properties of methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 126820113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).