7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C8H7F3N4O3S — CID 87456009

IUPAC7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(N)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H6N4OS.C2HF3O2/c1-11-4-3-5(9-2-8-4)12-6(7)10-3;3-2(4,5)1(6)7/h2H,1H3,(H2,7,10);(H,6,7)
InChIKeyHNVKLZBXYUQNCZ-UHFFFAOYSA-N
MW296.23 g/mol
LogP1.31
Rot. Bonds1

About 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87456009) has the molecular formula C8H7F3N4O3S and a molecular weight of 296.23 g/mol. Its IUPAC name is 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87456009
Molecular FormulaC8H7F3N4O3S
Molecular Weight296.23 g/mol
Exact Mass296.02
IUPAC Name7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(N)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H6N4OS.C2HF3O2/c1-11-4-3-5(9-2-8-4)12-6(7)10-3;3-2(4,5)1(6)7/h2H,1H3,(H2,7,10);(H,6,7)
InChIKeyHNVKLZBXYUQNCZ-UHFFFAOYSA-N
XLogP1.31
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 87456009) is 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is COc1ncnc2sc(N)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HNVKLZBXYUQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS.C2HF3O2/c1-11-4-3-5(9-2-8-4)12-6(7)10-3;3-2(4,5)1(6)7/h2H,1H3,(H2,7,10);(H,6,7).
What are the key properties of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 296.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87456009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).