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

C21H18F2N4OS — CID 58207928

IUPAC5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)c(F)c1
InChIInChI=1S/C21H18F2N4OS/c22-14-1-2-16(18(23)10-14)17-9-13(12-27-6-5-24-20(17)27)19-11-25-21(29-19)26-15-3-7-28-8-4-15/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,25,26)
InChIKeyLFNWHQHUXOBEGZ-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.99
Rot. Bonds4

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

5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 58207928) has the molecular formula C21H18F2N4OS and a molecular weight of 412.47 g/mol. Its IUPAC name is 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID58207928
Molecular FormulaC21H18F2N4OS
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)c(F)c1
InChIInChI=1S/C21H18F2N4OS/c22-14-1-2-16(18(23)10-14)17-9-13(12-27-6-5-24-20(17)27)19-11-25-21(29-19)26-15-3-7-28-8-4-15/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,25,26)
InChIKeyLFNWHQHUXOBEGZ-UHFFFAOYSA-N
XLogP4.99
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 58207928) is 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is Fc1ccc(-c2cc(-c3cnc(NC4CCOCC4)s3)cn3ccnc23)c(F)c1.
What is the InChIKey of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is LFNWHQHUXOBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4OS/c22-14-1-2-16(18(23)10-14)17-9-13(12-27-6-5-24-20(17)27)19-11-25-21(29-19)26-15-3-7-28-8-4-15/h1-2,5-6,9-12,15H,3-4,7-8H2,(H,25,26).
What are the key properties of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 412.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58207928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).