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

C20H18F2N4OS — CID 58207920

IUPAC5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nccn3c2)s1
InChIInChI=1S/C20H18F2N4OS/c1-12(11-27-2)25-20-24-9-18(28-20)13-7-16(19-23-5-6-26(19)10-13)15-4-3-14(21)8-17(15)22/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeySXHQCMMNSOQYNL-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.85
Rot. Bonds6

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

5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 58207920) has the molecular formula C20H18F2N4OS and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
PubChem CID58207920
Molecular FormulaC20H18F2N4OS
Molecular Weight400.45 g/mol
Exact Mass400.12
IUPAC Name5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nccn3c2)s1
InChIInChI=1S/C20H18F2N4OS/c1-12(11-27-2)25-20-24-9-18(28-20)13-7-16(19-23-5-6-26(19)10-13)15-4-3-14(21)8-17(15)22/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeySXHQCMMNSOQYNL-UHFFFAOYSA-N
XLogP4.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
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-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine (CID 58207920) is 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-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-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine is COCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nccn3c2)s1.
What is the InChIKey of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is SXHQCMMNSOQYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4OS/c1-12(11-27-2)25-20-24-9-18(28-20)13-7-16(19-23-5-6-26(19)10-13)15-4-3-14(21)8-17(15)22/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of 5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine?
5-[8-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 400.45 g/mol, XLogP of 4.85, 6 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-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58207920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).