5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride

C12H14Cl2N2S2 — CID 18538622

IUPAC5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2sc(SC3CCNCC3)nc2c1
InChIInChI=1S/C12H13ClN2S2.ClH/c13-8-1-2-11-10(7-8)15-12(17-11)16-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKeyGKCKQUFLPUGQOQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.22
Rot. Bonds2

About 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride

5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride (PubChem CID 18538622) has the molecular formula C12H14Cl2N2S2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
PubChem CID18538622
Molecular FormulaC12H14Cl2N2S2
Molecular Weight321.30 g/mol
Exact Mass320.00
IUPAC Name5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2sc(SC3CCNCC3)nc2c1
InChIInChI=1S/C12H13ClN2S2.ClH/c13-8-1-2-11-10(7-8)15-12(17-11)16-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKeyGKCKQUFLPUGQOQ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride (CID 18538622) is 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride is Cl.Clc1ccc2sc(SC3CCNCC3)nc2c1.
What is the InChIKey of 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The InChIKey is GKCKQUFLPUGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S2.ClH/c13-8-1-2-11-10(7-8)15-12(17-11)16-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H.
What are the key properties of 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride has a molecular weight of 321.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 18538622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).