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

C19H26N2OS — CID 71463512

IUPAC6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one
SMILESC=C(CC)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C19H26N2OS/c1-3-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-7-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
InChIKeyYZSUDWVJOGNPNW-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.36
Rot. Bonds6

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

6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one (PubChem CID 71463512) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one
PubChem CID71463512
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one
SMILESC=C(CC)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C19H26N2OS/c1-3-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-7-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
InChIKeyYZSUDWVJOGNPNW-UHFFFAOYSA-N
XLogP4.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.36
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-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one (CID 71463512) is 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one is C=C(CC)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1.
What is the InChIKey of 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one?
The InChIKey is YZSUDWVJOGNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-3-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-7-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3.
What are the key properties of 6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one?
6-but-1-en-2-yl-3-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one has a molecular weight of 330.50 g/mol, XLogP of 4.36, 6 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-(3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 71463512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).