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

C20H18FN5OS — CID 44553268

IUPAC5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccccc1-c1nc(-c2cnc(NC3CCOCC3)s2)cn2ccnc12
InChIInChI=1S/C20H18FN5OS/c21-15-4-2-1-3-14(15)18-19-22-7-8-26(19)12-16(25-18)17-11-23-20(28-17)24-13-5-9-27-10-6-13/h1-4,7-8,11-13H,5-6,9-10H2,(H,23,24)
InChIKeyASBPIBZNJQNNOF-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.25
Rot. Bonds4

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

5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 44553268) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID44553268
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccccc1-c1nc(-c2cnc(NC3CCOCC3)s2)cn2ccnc12
InChIInChI=1S/C20H18FN5OS/c21-15-4-2-1-3-14(15)18-19-22-7-8-26(19)12-16(25-18)17-11-23-20(28-17)24-13-5-9-27-10-6-13/h1-4,7-8,11-13H,5-6,9-10H2,(H,23,24)
InChIKeyASBPIBZNJQNNOF-UHFFFAOYSA-N
XLogP4.25
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 44553268) is 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is Fc1ccccc1-c1nc(-c2cnc(NC3CCOCC3)s2)cn2ccnc12.
What is the InChIKey of 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is ASBPIBZNJQNNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c21-15-4-2-1-3-14(15)18-19-22-7-8-26(19)12-16(25-18)17-11-23-20(28-17)24-13-5-9-27-10-6-13/h1-4,7-8,11-13H,5-6,9-10H2,(H,23,24).
What are the key properties of 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44553268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).