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

C12H15ClN2S2 — CID 18538492

IUPAC2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(SC3CCNCC3)nc2c1
InChIInChI=1S/C12H14N2S2.ClH/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyQQZSWVKSVRYFDS-UHFFFAOYSA-N
MW286.85 g/mol
LogP3.56
Rot. Bonds2

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

2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride (PubChem CID 18538492) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
PubChem CID18538492
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(SC3CCNCC3)nc2c1
InChIInChI=1S/C12H14N2S2.ClH/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyQQZSWVKSVRYFDS-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole;hydrochloride
CID 71637240
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538622
2-(3,3-difluorocyclobutyl)sulfanyl-1,3-benzothiazole
CID 118868834
2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
CID 154908241
2-(2-chlorocyclopentyl)sulfanyl-1,3-benzothiazole
CID 16762346
2-phenyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride
CID 82021857
N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylthiohydroxylamine
CID 158162347
4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol
CID 81042250
(3R,4R)-4-(1,3-benzothiazol-2-ylsulfanyl)oxolan-3-ol
CID 126847658
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
CID 62358217

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride (CID 18538492) is 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride is Cl.c1ccc2sc(SC3CCNCC3)nc2c1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
The InChIKey is QQZSWVKSVRYFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2.ClH/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H.
What are the key properties of 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride?
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 18538492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).