7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine

C13H9F2N3OS — CID 137462572

IUPAC7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1ncc(-c2cccc(F)c2F)c2sc(N)nc12
InChIInChI=1S/C13H9F2N3OS/c1-19-12-10-11(20-13(16)18-10)7(5-17-12)6-3-2-4-8(14)9(6)15/h2-5H,1H3,(H2,16,18)
InChIKeyITFCLLMGHTYHAQ-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.23
Rot. Bonds2

About 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine

7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 137462572) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID137462572
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1ncc(-c2cccc(F)c2F)c2sc(N)nc12
InChIInChI=1S/C13H9F2N3OS/c1-19-12-10-11(20-13(16)18-10)7(5-17-12)6-3-2-4-8(14)9(6)15/h2-5H,1H3,(H2,16,18)
InChIKeyITFCLLMGHTYHAQ-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 137462572) is 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine is COc1ncc(-c2cccc(F)c2F)c2sc(N)nc12.
What is the InChIKey of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is ITFCLLMGHTYHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-19-12-10-11(20-13(16)18-10)7(5-17-12)6-3-2-4-8(14)9(6)15/h2-5H,1H3,(H2,16,18).
What are the key properties of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine?
7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 137462572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).