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

C20H20FN5OS — CID 44553271

IUPACN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cn3ccnc3c(-c3ccccc3F)n2)s1
InChIInChI=1S/C20H20FN5OS/c1-3-27-12-13(2)24-20-23-10-17(28-20)16-11-26-9-8-22-19(26)18(25-16)14-6-4-5-7-15(14)21/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyVHSLTGHTMBCNPR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.50
Rot. Bonds7

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

N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine (PubChem CID 44553271) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine
PubChem CID44553271
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC NameN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cn3ccnc3c(-c3ccccc3F)n2)s1
InChIInChI=1S/C20H20FN5OS/c1-3-27-12-13(2)24-20-23-10-17(28-20)16-11-26-9-8-22-19(26)18(25-16)14-6-4-5-7-15(14)21/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyVHSLTGHTMBCNPR-UHFFFAOYSA-N
XLogP4.50
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine (CID 44553271) is N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine is CCOCC(C)Nc1ncc(-c2cn3ccnc3c(-c3ccccc3F)n2)s1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is VHSLTGHTMBCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-3-27-12-13(2)24-20-23-10-17(28-20)16-11-26-9-8-22-19(26)18(25-16)14-6-4-5-7-15(14)21/h4-11,13H,3,12H2,1-2H3,(H,23,24).
What are the key properties of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine?
N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 397.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 44553271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).