2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole

C18H22N2O2S — CID 118911172

IUPAC2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C18H22N2O2S/c1-12-10-23-18(19-12)14-5-7-20(8-6-14)13(2)15-3-4-16-17(9-15)22-11-21-16/h3-4,9-10,13-14H,5-8,11H2,1-2H3
InChIKeyOHVXLGPSAHMXLV-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.12
Rot. Bonds3

About 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole

2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole (PubChem CID 118911172) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole
PubChem CID118911172
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C18H22N2O2S/c1-12-10-23-18(19-12)14-5-7-20(8-6-14)13(2)15-3-4-16-17(9-15)22-11-21-16/h3-4,9-10,13-14H,5-8,11H2,1-2H3
InChIKeyOHVXLGPSAHMXLV-UHFFFAOYSA-N
XLogP4.12
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole (CID 118911172) is 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole is Cc1csc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is OHVXLGPSAHMXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-10-23-18(19-12)14-5-7-20(8-6-14)13(2)15-3-4-16-17(9-15)22-11-21-16/h3-4,9-10,13-14H,5-8,11H2,1-2H3.
What are the key properties of 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole?
2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 330.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 118911172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).