5-piperidin-4-yloxy-1,3-benzothiazole

C12H14N2OS — CID 84697896

IUPAC5-piperidin-4-yloxy-1,3-benzothiazole
SMILESc1nc2cc(OC3CCNCC3)ccc2s1
InChIInChI=1S/C12H14N2OS/c1-2-12-11(14-8-16-12)7-10(1)15-9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyYVBIRDXZWVVYQL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds2

About 5-piperidin-4-yloxy-1,3-benzothiazole

5-piperidin-4-yloxy-1,3-benzothiazole (PubChem CID 84697896) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-piperidin-4-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name5-piperidin-4-yloxy-1,3-benzothiazole
PubChem CID84697896
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-piperidin-4-yloxy-1,3-benzothiazole
SMILESc1nc2cc(OC3CCNCC3)ccc2s1
InChIInChI=1S/C12H14N2OS/c1-2-12-11(14-8-16-12)7-10(1)15-9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyYVBIRDXZWVVYQL-UHFFFAOYSA-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

7-piperidin-4-yloxyquinolin-4-amine
CID 175411654
5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 175248232
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
CID 71779004
3-methyl-6-piperidin-4-yloxy-2H-indazole
CID 84694870
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
5-[[(2R)-oxiran-2-yl]methoxy]-1,3-benzothiazole
CID 94044870
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
2-methyl-6-piperidin-4-yloxyquinoline
CID 123255075
6-(azepan-4-yloxy)quinoline
CID 117051458
2-iodo-5-piperidin-4-yloxypyridine
CID 134406589

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yloxy-1,3-benzothiazole?
The IUPAC name of 5-piperidin-4-yloxy-1,3-benzothiazole (CID 84697896) is 5-piperidin-4-yloxy-1,3-benzothiazole.
What is the SMILES notation for 5-piperidin-4-yloxy-1,3-benzothiazole?
The canonical SMILES for 5-piperidin-4-yloxy-1,3-benzothiazole is c1nc2cc(OC3CCNCC3)ccc2s1.
What is the InChIKey of 5-piperidin-4-yloxy-1,3-benzothiazole?
The InChIKey is YVBIRDXZWVVYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-12-11(14-8-16-12)7-10(1)15-9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2.
What are the key properties of 5-piperidin-4-yloxy-1,3-benzothiazole?
5-piperidin-4-yloxy-1,3-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 5-piperidin-4-yloxy-1,3-benzothiazole is sourced from PubChem (CID 84697896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).