1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride

C10H15ClN2OS — CID 67436260

IUPAC1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCC(=O)c1csc(C2CCNCC2)n1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyFFZFPTJVWRHXGP-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride

1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride (PubChem CID 67436260) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
PubChem CID67436260
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCC(=O)c1csc(C2CCNCC2)n1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyFFZFPTJVWRHXGP-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride (CID 67436260) is 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride is CC(=O)c1csc(C2CCNCC2)n1.Cl.
What is the InChIKey of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The InChIKey is FFZFPTJVWRHXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8;/h6,8,11H,2-5H2,1H3;1H.
What are the key properties of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 67436260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).