6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one

C18H26N2OS — CID 58386775

IUPAC6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESCCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-2-3-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
InChIKeyCDRXSIQDZFMEGK-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.89
Rot. Bonds6

About 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one

6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one (PubChem CID 58386775) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
PubChem CID58386775
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
SMILESCCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-2-3-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
InChIKeyCDRXSIQDZFMEGK-UHFFFAOYSA-N
XLogP3.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one (CID 58386775) is 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one is CCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1.
What is the InChIKey of 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
The InChIKey is CDRXSIQDZFMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-2-3-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3.
What are the key properties of 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one?
6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one has a molecular weight of 318.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 58386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).