6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole

C20H19FN4S — CID 126761113

IUPAC6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole
SMILESFc1cccc2ncc(Cc3ccc4nc(N5CCCCC5)sc4c3)n12
InChIInChI=1S/C20H19FN4S/c21-18-5-4-6-19-22-13-15(25(18)19)11-14-7-8-16-17(12-14)26-20(23-16)24-9-2-1-3-10-24/h4-8,12-13H,1-3,9-11H2
InChIKeyHUVDRNFTFOUPFA-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.66
Rot. Bonds3

About 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole

6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole (PubChem CID 126761113) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole
PubChem CID126761113
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole
SMILESFc1cccc2ncc(Cc3ccc4nc(N5CCCCC5)sc4c3)n12
InChIInChI=1S/C20H19FN4S/c21-18-5-4-6-19-22-13-15(25(18)19)11-14-7-8-16-17(12-14)26-20(23-16)24-9-2-1-3-10-24/h4-8,12-13H,1-3,9-11H2
InChIKeyHUVDRNFTFOUPFA-UHFFFAOYSA-N
XLogP4.66
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole (CID 126761113) is 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole is Fc1cccc2ncc(Cc3ccc4nc(N5CCCCC5)sc4c3)n12.
What is the InChIKey of 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole?
The InChIKey is HUVDRNFTFOUPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c21-18-5-4-6-19-22-13-15(25(18)19)11-14-7-8-16-17(12-14)26-20(23-16)24-9-2-1-3-10-24/h4-8,12-13H,1-3,9-11H2.
What are the key properties of 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole?
6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole has a molecular weight of 366.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoroimidazo[1,2-a]pyridin-3-yl)methyl]-2-piperidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 126761113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).