4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine

C10H6F3N5S — CID 62787937

IUPAC4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nnc3ccc(C(F)(F)F)cn23)cs1
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)5-1-2-7-16-17-8(18(7)3-5)6-4-19-9(14)15-6/h1-4H,(H2,14,15)
InChIKeyQPEUQNYIQWVMPL-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.45
Rot. Bonds1

About 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine

4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine (PubChem CID 62787937) has the molecular formula C10H6F3N5S and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
PubChem CID62787937
Molecular FormulaC10H6F3N5S
Molecular Weight285.25 g/mol
Exact Mass285.03
IUPAC Name4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nnc3ccc(C(F)(F)F)cn23)cs1
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)5-1-2-7-16-17-8(18(7)3-5)6-4-19-9(14)15-6/h1-4H,(H2,14,15)
InChIKeyQPEUQNYIQWVMPL-UHFFFAOYSA-N
XLogP2.45
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine (CID 62787937) is 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine is Nc1nc(-c2nnc3ccc(C(F)(F)F)cn23)cs1.
What is the InChIKey of 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is QPEUQNYIQWVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5S/c11-10(12,13)5-1-2-7-16-17-8(18(7)3-5)6-4-19-9(14)15-6/h1-4H,(H2,14,15).
What are the key properties of 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine?
4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 285.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62787937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).