3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole

C15H20N2S — CID 18365240

IUPAC3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole
SMILESCC(C)c1ccc2snc(C3CCNCC3)c2c1
InChIInChI=1S/C15H20N2S/c1-10(2)12-3-4-14-13(9-12)15(17-18-14)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyYCIJYTKMWDETMA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.89
Rot. Bonds2

About 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole

3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole (PubChem CID 18365240) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole
PubChem CID18365240
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole
SMILESCC(C)c1ccc2snc(C3CCNCC3)c2c1
InChIInChI=1S/C15H20N2S/c1-10(2)12-3-4-14-13(9-12)15(17-18-14)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyYCIJYTKMWDETMA-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole?
The IUPAC name of 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole (CID 18365240) is 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole?
The canonical SMILES for 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole is CC(C)c1ccc2snc(C3CCNCC3)c2c1.
What is the InChIKey of 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole?
The InChIKey is YCIJYTKMWDETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)12-3-4-14-13(9-12)15(17-18-14)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3.
What are the key properties of 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole?
3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-propan-2-yl-1,2-benzothiazole is sourced from PubChem (CID 18365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).