6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride

C11H15ClN2OS — CID 23112449

IUPAC6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
SMILESCc1csc2c(C3CCNCC3)noc12.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-7-6-15-11-9(13-14-10(7)11)8-2-4-12-5-3-8;/h6,8,12H,2-5H2,1H3;1H
InChIKeyHVETXZJZIVVNGS-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.09
Rot. Bonds1

About 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride

6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride (PubChem CID 23112449) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride.

Molecular Properties

Compound Name6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
PubChem CID23112449
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
SMILESCc1csc2c(C3CCNCC3)noc12.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-7-6-15-11-9(13-14-10(7)11)8-2-4-12-5-3-8;/h6,8,12H,2-5H2,1H3;1H
InChIKeyHVETXZJZIVVNGS-UHFFFAOYSA-N
XLogP3.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride?
The IUPAC name of 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride (CID 23112449) is 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride.
What is the SMILES notation for 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride?
The canonical SMILES for 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride is Cc1csc2c(C3CCNCC3)noc12.Cl.
What is the InChIKey of 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride?
The InChIKey is HVETXZJZIVVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.ClH/c1-7-6-15-11-9(13-14-10(7)11)8-2-4-12-5-3-8;/h6,8,12H,2-5H2,1H3;1H.
What are the key properties of 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride?
6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride is sourced from PubChem (CID 23112449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).