2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol

C18H18FN3OS — CID 91133031

IUPAC2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(N3CCC(Nc4ccccc4F)CC3)nc2c1
InChIInChI=1S/C18H18FN3OS/c19-14-3-1-2-4-15(14)20-12-7-9-22(10-8-12)18-21-16-11-13(23)5-6-17(16)24-18/h1-6,11-12,20,23H,7-10H2
InChIKeyXNQLTOHAIIGRQY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.22
Rot. Bonds3

About 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol

2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol (PubChem CID 91133031) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol
PubChem CID91133031
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(N3CCC(Nc4ccccc4F)CC3)nc2c1
InChIInChI=1S/C18H18FN3OS/c19-14-3-1-2-4-15(14)20-12-7-9-22(10-8-12)18-21-16-11-13(23)5-6-17(16)24-18/h1-6,11-12,20,23H,7-10H2
InChIKeyXNQLTOHAIIGRQY-UHFFFAOYSA-N
XLogP4.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]-6-fluorobenzonitrile
CID 71883473
2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol
CID 91441677
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
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-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
CID 174498478
2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 56671917
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
CID 166321274
2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-5-amine
CID 82373389

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol?
The IUPAC name of 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol (CID 91133031) is 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol is Oc1ccc2sc(N3CCC(Nc4ccccc4F)CC3)nc2c1.
What is the InChIKey of 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol?
The InChIKey is XNQLTOHAIIGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-3-1-2-4-15(14)20-12-7-9-22(10-8-12)18-21-16-11-13(23)5-6-17(16)24-18/h1-6,11-12,20,23H,7-10H2.
What are the key properties of 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol?
2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol has a molecular weight of 343.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol is sourced from PubChem (CID 91133031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).