2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride

C9H15ClN2S — CID 174676631

IUPAC2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCCC(c2nccs2)C1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-11-5-2-3-8(7-11)9-10-4-6-12-9;/h4,6,8H,2-3,5,7H2,1H3;1H
InChIKeyOGGJCPDCSGGYBV-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.37
Rot. Bonds1

About 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride

2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 174676631) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride
PubChem CID174676631
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCCC(c2nccs2)C1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-11-5-2-3-8(7-11)9-10-4-6-12-9;/h4,6,8H,2-3,5,7H2,1H3;1H
InChIKeyOGGJCPDCSGGYBV-UHFFFAOYSA-N
XLogP2.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride (CID 174676631) is 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride is CN1CCCC(c2nccs2)C1.Cl.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride?
The InChIKey is OGGJCPDCSGGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-11-5-2-3-8(7-11)9-10-4-6-12-9;/h4,6,8H,2-3,5,7H2,1H3;1H.
What are the key properties of 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride?
2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 174676631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).