6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one

C18H24N2OS — CID 71463510

IUPAC6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESC=C(CC)c1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3
InChIKeyXITJMVNQYDLJFI-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.97
Rot. Bonds5

About 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one

6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one (PubChem CID 71463510) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
PubChem CID71463510
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESC=C(CC)c1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3
InChIKeyXITJMVNQYDLJFI-UHFFFAOYSA-N
XLogP3.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one (CID 71463510) is 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one is C=C(CC)c1ccc2c(c1)sc(=O)n2CCN1CCCCC1.
What is the InChIKey of 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The InChIKey is XITJMVNQYDLJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one has a molecular weight of 316.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 71463510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).