5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine

C13H8F3N3S — CID 2608755

IUPAC5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESNc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)18-11-10(8)20-12(17)19-11/h1-6H,(H2,17,18,19)
InChIKeyQGJXVDRECTZYDN-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.96
Rot. Bonds1

About 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine

5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine (PubChem CID 2608755) has the molecular formula C13H8F3N3S and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine
PubChem CID2608755
Molecular FormulaC13H8F3N3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC Name5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESNc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)18-11-10(8)20-12(17)19-11/h1-6H,(H2,17,18,19)
InChIKeyQGJXVDRECTZYDN-UHFFFAOYSA-N
XLogP3.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine (CID 2608755) is 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine is Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The InChIKey is QGJXVDRECTZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)18-11-10(8)20-12(17)19-11/h1-6H,(H2,17,18,19).
What are the key properties of 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine?
5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine has a molecular weight of 295.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 2608755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).