2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine

C10H10F3N3OS — CID 134208952

IUPAC2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESCOC(c1c(N)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C10H10F3N3OS/c1-4-16-7-6(8(17-2)10(11,12)13)5(14)3-15-9(7)18-4/h3,8H,14H2,1-2H3
InChIKeyNXOPGRGHIUYCQP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine

2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine (PubChem CID 134208952) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine
PubChem CID134208952
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESCOC(c1c(N)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C10H10F3N3OS/c1-4-16-7-6(8(17-2)10(11,12)13)5(14)3-15-9(7)18-4/h3,8H,14H2,1-2H3
InChIKeyNXOPGRGHIUYCQP-UHFFFAOYSA-N
XLogP2.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine (CID 134208952) is 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine is COC(c1c(N)cnc2sc(C)nc12)C(F)(F)F.
What is the InChIKey of 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The InChIKey is NXOPGRGHIUYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c1-4-16-7-6(8(17-2)10(11,12)13)5(14)3-15-9(7)18-4/h3,8H,14H2,1-2H3.
What are the key properties of 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine?
2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine has a molecular weight of 277.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 134208952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).