2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol

C18H19N3OS — CID 91441677

IUPAC2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(N3CCC(Nc4ccccc4)CC3)sc2c1
InChIInChI=1S/C18H19N3OS/c22-15-6-7-16-17(12-15)23-18(20-16)21-10-8-14(9-11-21)19-13-4-2-1-3-5-13/h1-7,12,14,19,22H,8-11H2
InChIKeyVLPREFTZNODDGD-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol

2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol (PubChem CID 91441677) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol
PubChem CID91441677
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(N3CCC(Nc4ccccc4)CC3)sc2c1
InChIInChI=1S/C18H19N3OS/c22-15-6-7-16-17(12-15)23-18(20-16)21-10-8-14(9-11-21)19-13-4-2-1-3-5-13/h1-7,12,14,19,22H,8-11H2
InChIKeyVLPREFTZNODDGD-UHFFFAOYSA-N
XLogP4.08
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91359113
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91806718
2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol
CID 91133031
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
CID 166321274
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]-6-fluorobenzonitrile
CID 71883473
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
(2-fluorophenyl) 2-(4-benzamidopiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 153407327
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol (CID 91441677) is 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol is Oc1ccc2nc(N3CCC(Nc4ccccc4)CC3)sc2c1.
What is the InChIKey of 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol?
The InChIKey is VLPREFTZNODDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-15-6-7-16-17(12-15)23-18(20-16)21-10-8-14(9-11-21)19-13-4-2-1-3-5-13/h1-7,12,14,19,22H,8-11H2.
What are the key properties of 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol?
2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol has a molecular weight of 325.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 91441677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).