4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole

C11H18N2OS — CID 102954515

IUPAC4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
SMILESCc1nc(OC2CNCCC2C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-4-5-12-6-10(7)14-11-13-8(2)9(3)15-11/h7,10,12H,4-6H2,1-3H3
InChIKeyXLFUVIXPEZMPTK-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds2

About 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole

4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole (PubChem CID 102954515) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
PubChem CID102954515
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
SMILESCc1nc(OC2CNCCC2C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-4-5-12-6-10(7)14-11-13-8(2)9(3)15-11/h7,10,12H,4-6H2,1-3H3
InChIKeyXLFUVIXPEZMPTK-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole (CID 102954515) is 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole is Cc1nc(OC2CNCCC2C)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The InChIKey is XLFUVIXPEZMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-4-5-12-6-10(7)14-11-13-8(2)9(3)15-11/h7,10,12H,4-6H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole is sourced from PubChem (CID 102954515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).