1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one

C8H4F3N3OS — CID 106679426

IUPAC1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one
SMILESO=C(Cc1nc2nccnc2s1)C(F)(F)F
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)4(15)3-5-14-6-7(16-5)13-2-1-12-6/h1-2H,3H2
InChIKeyFFUMKUOEOLKOEI-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.76
Rot. Bonds2

About 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one

1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one (PubChem CID 106679426) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one
PubChem CID106679426
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one
SMILESO=C(Cc1nc2nccnc2s1)C(F)(F)F
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)4(15)3-5-14-6-7(16-5)13-2-1-12-6/h1-2H,3H2
InChIKeyFFUMKUOEOLKOEI-UHFFFAOYSA-N
XLogP1.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid
CID 106678089
4,4,4-trifluoro-1-(1,3-oxazol-2-yl)butane-1,3-dione
CID 83396351
4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine
CID 106678177
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one
CID 79872278
1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
CID 159754187
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184
1,1,1-trifluoro-4-(1,3-thiazol-2-yl)butane-2,3-dione;hydrate
CID 154703079
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
CID 106678097
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
CID 106678127

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one (CID 106679426) is 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one is O=C(Cc1nc2nccnc2s1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one?
The InChIKey is FFUMKUOEOLKOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)4(15)3-5-14-6-7(16-5)13-2-1-12-6/h1-2H,3H2.
What are the key properties of 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one?
1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one has a molecular weight of 247.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one is sourced from PubChem (CID 106679426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).