6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

C21H13F2N3S — CID 141330386

IUPAC6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESFc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1
InChIInChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2
InChIKeyVYFXAZWZAFIQSD-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.48
Rot. Bonds3

About 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (PubChem CID 141330386) has the molecular formula C21H13F2N3S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
PubChem CID141330386
Molecular FormulaC21H13F2N3S
Molecular Weight377.42 g/mol
Exact Mass377.08
IUPAC Name6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESFc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1
InChIInChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2
InChIKeyVYFXAZWZAFIQSD-UHFFFAOYSA-N
XLogP5.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (CID 141330386) is 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is Fc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1.
What is the InChIKey of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The InChIKey is VYFXAZWZAFIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2.
What are the key properties of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole has a molecular weight of 377.42 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 141330386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).