4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine

C12H7F3N4S — CID 91926284

IUPAC4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3nc2C(F)(F)F)cs1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)10-9(8-5-20-11(16)19-8)17-6-3-1-2-4-7(6)18-10/h1-5H,(H2,16,19)
InChIKeyLLWOOGLGZITEQY-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.35
Rot. Bonds1

About 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine

4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine (PubChem CID 91926284) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine
PubChem CID91926284
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3nc2C(F)(F)F)cs1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)10-9(8-5-20-11(16)19-8)17-6-3-1-2-4-7(6)18-10/h1-5H,(H2,16,19)
InChIKeyLLWOOGLGZITEQY-UHFFFAOYSA-N
XLogP3.35
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine (CID 91926284) is 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine is Nc1nc(-c2nc3ccccc3nc2C(F)(F)F)cs1.
What is the InChIKey of 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is LLWOOGLGZITEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)10-9(8-5-20-11(16)19-8)17-6-3-1-2-4-7(6)18-10/h1-5H,(H2,16,19).
What are the key properties of 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine?
4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 296.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)quinoxalin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).