ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole

C16H24N2S — CID 155572427

IUPACethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
SMILESCC.Cc1nc2ccc(C3CCN(C)CC3)cc2s1
InChIInChI=1S/C14H18N2S.C2H6/c1-10-15-13-4-3-12(9-14(13)17-10)11-5-7-16(2)8-6-11;1-2/h3-4,9,11H,5-8H2,1-2H3;1-2H3
InChIKeyLJKSJJRMXWMPSB-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.44
Rot. Bonds1

About ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole

ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole (PubChem CID 155572427) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
PubChem CID155572427
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Nameethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
SMILESCC.Cc1nc2ccc(C3CCN(C)CC3)cc2s1
InChIInChI=1S/C14H18N2S.C2H6/c1-10-15-13-4-3-12(9-14(13)17-10)11-5-7-16(2)8-6-11;1-2/h3-4,9,11H,5-8H2,1-2H3;1-2H3
InChIKeyLJKSJJRMXWMPSB-UHFFFAOYSA-N
XLogP4.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole?
The IUPAC name of ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole (CID 155572427) is ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole?
The canonical SMILES for ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole is CC.Cc1nc2ccc(C3CCN(C)CC3)cc2s1.
What is the InChIKey of ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole?
The InChIKey is LJKSJJRMXWMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.C2H6/c1-10-15-13-4-3-12(9-14(13)17-10)11-5-7-16(2)8-6-11;1-2/h3-4,9,11H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole?
ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole has a molecular weight of 276.45 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 155572427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).