7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole

C13H15ClN2S — CID 107070550

IUPAC7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole
SMILESCC1CCCNC1c1nc2cccc(Cl)c2s1
InChIInChI=1S/C13H15ClN2S/c1-8-4-3-7-15-11(8)13-16-10-6-2-5-9(14)12(10)17-13/h2,5-6,8,11,15H,3-4,7H2,1H3
InChIKeyQAYDJMQANGOBOP-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.01
Rot. Bonds1

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

7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole (PubChem CID 107070550) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole
PubChem CID107070550
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole
SMILESCC1CCCNC1c1nc2cccc(Cl)c2s1
InChIInChI=1S/C13H15ClN2S/c1-8-4-3-7-15-11(8)13-16-10-6-2-5-9(14)12(10)17-13/h2,5-6,8,11,15H,3-4,7H2,1H3
InChIKeyQAYDJMQANGOBOP-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole?
The IUPAC name of 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole (CID 107070550) is 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole is CC1CCCNC1c1nc2cccc(Cl)c2s1.
What is the InChIKey of 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole?
The InChIKey is QAYDJMQANGOBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-4-3-7-15-11(8)13-16-10-6-2-5-9(14)12(10)17-13/h2,5-6,8,11,15H,3-4,7H2,1H3.
What are the key properties of 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole?
7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole has a molecular weight of 266.80 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-methylpiperidin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 107070550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).