7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole

C15H19ClN2S — CID 63126042

IUPAC7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cccc(Cl)c3s2)CCNCC1
InChIInChI=1S/C15H19ClN2S/c1-2-6-15(7-9-17-10-8-15)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,17H,2,6-10H2,1H3
InChIKeyZNKPEJMZPFOUJG-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.37
Rot. Bonds3

About 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole

7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole (PubChem CID 63126042) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole
PubChem CID63126042
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cccc(Cl)c3s2)CCNCC1
InChIInChI=1S/C15H19ClN2S/c1-2-6-15(7-9-17-10-8-15)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,17H,2,6-10H2,1H3
InChIKeyZNKPEJMZPFOUJG-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole?
The IUPAC name of 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole (CID 63126042) is 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole is CCCC1(c2nc3cccc(Cl)c3s2)CCNCC1.
What is the InChIKey of 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole?
The InChIKey is ZNKPEJMZPFOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-6-15(7-9-17-10-8-15)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,17H,2,6-10H2,1H3.
What are the key properties of 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole?
7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole has a molecular weight of 294.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-propylpiperidin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 63126042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).