5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole

C15H19BrN2S — CID 55166649

IUPAC5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cc(Br)ccc3s2)CCCNC1
InChIInChI=1S/C15H19BrN2S/c1-2-6-15(7-3-8-17-10-15)14-18-12-9-11(16)4-5-13(12)19-14/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyUMTKQGVCDQEBNN-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.48
Rot. Bonds3

About 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole

5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole (PubChem CID 55166649) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole
PubChem CID55166649
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cc(Br)ccc3s2)CCCNC1
InChIInChI=1S/C15H19BrN2S/c1-2-6-15(7-3-8-17-10-15)14-18-12-9-11(16)4-5-13(12)19-14/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyUMTKQGVCDQEBNN-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole?
The IUPAC name of 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole (CID 55166649) is 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole is CCCC1(c2nc3cc(Br)ccc3s2)CCCNC1.
What is the InChIKey of 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole?
The InChIKey is UMTKQGVCDQEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-2-6-15(7-3-8-17-10-15)14-18-12-9-11(16)4-5-13(12)19-14/h4-5,9,17H,2-3,6-8,10H2,1H3.
What are the key properties of 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole?
5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole has a molecular weight of 339.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 55166649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).