2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole

C13H20N2S — CID 71134865

IUPAC2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2CCN(C3CCC3)CC2)s1
InChIInChI=1S/C13H20N2S/c1-10-9-14-13(16-10)11-5-7-15(8-6-11)12-3-2-4-12/h9,11-12H,2-8H2,1H3
InChIKeyLUAIEEDLXYDSAD-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.18
Rot. Bonds2

About 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole

2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole (PubChem CID 71134865) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
PubChem CID71134865
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2CCN(C3CCC3)CC2)s1
InChIInChI=1S/C13H20N2S/c1-10-9-14-13(16-10)11-5-7-15(8-6-11)12-3-2-4-12/h9,11-12H,2-8H2,1H3
InChIKeyLUAIEEDLXYDSAD-UHFFFAOYSA-N
XLogP3.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole (CID 71134865) is 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole is Cc1cnc(C2CCN(C3CCC3)CC2)s1.
What is the InChIKey of 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole?
The InChIKey is LUAIEEDLXYDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-9-14-13(16-10)11-5-7-15(8-6-11)12-3-2-4-12/h9,11-12H,2-8H2,1H3.
What are the key properties of 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole?
2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 71134865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).