3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole

C12H14N2OS — CID 71637350

IUPAC3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
SMILESc1ccc2c(O[C@@H]3CCCNC3)nsc2c1
InChIInChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyGAGVDSLUMDMJPO-SECBINFHSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds2

About 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole

3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole (PubChem CID 71637350) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole.

Molecular Properties

Compound Name3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
PubChem CID71637350
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
SMILESc1ccc2c(O[C@@H]3CCCNC3)nsc2c1
InChIInChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyGAGVDSLUMDMJPO-SECBINFHSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-piperidin-3-yloxyindazole
CID 84694858
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
(3R)-3-phenoxypiperidine
CID 42553363
2-methyl-3-piperidin-3-yloxyquinoxaline
CID 62373713
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
CID 71636976
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
N-[[(3R)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178374
N-(piperidin-3-ylmethyl)-1,2-benzothiazol-3-amine
CID 71636815
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164498
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
N-cyclopropyl-3-[(3R)-piperidin-3-yl]oxyquinoxalin-2-amine
CID 71637298

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole?
The IUPAC name of 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole (CID 71637350) is 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole.
What is the SMILES notation for 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole?
The canonical SMILES for 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole is c1ccc2c(O[C@@H]3CCCNC3)nsc2c1.
What is the InChIKey of 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole?
The InChIKey is GAGVDSLUMDMJPO-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole?
3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole has a molecular weight of 234.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole is sourced from PubChem (CID 71637350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).