5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine

C21H19FN4OS — CID 58207994

IUPAC5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)cc1
InChIInChI=1S/C21H19FN4OS/c22-16-3-1-14(2-4-16)18-11-15(13-26-8-7-23-20(18)26)19-12-24-21(28-19)25-17-5-9-27-10-6-17/h1-4,7-8,11-13,17H,5-6,9-10H2,(H,24,25)
InChIKeySKQFJFVGXLWNRZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.85
Rot. Bonds4

About 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine

5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 58207994) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID58207994
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)cc1
InChIInChI=1S/C21H19FN4OS/c22-16-3-1-14(2-4-16)18-11-15(13-26-8-7-23-20(18)26)19-12-24-21(28-19)25-17-5-9-27-10-6-17/h1-4,7-8,11-13,17H,5-6,9-10H2,(H,24,25)
InChIKeySKQFJFVGXLWNRZ-UHFFFAOYSA-N
XLogP4.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 58207994) is 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is Fc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)cc1.
What is the InChIKey of 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SKQFJFVGXLWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c22-16-3-1-14(2-4-16)18-11-15(13-26-8-7-23-20(18)26)19-12-24-21(28-19)25-17-5-9-27-10-6-17/h1-4,7-8,11-13,17H,5-6,9-10H2,(H,24,25).
What are the key properties of 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 394.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58207994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).