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

C14H9F2N3O2S — CID 137462571

IUPAC7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESCOc1ncc(-c2cccc(F)c2F)c2sc(C(N)=O)nc12
InChIInChI=1S/C14H9F2N3O2S/c1-21-13-10-11(22-14(19-10)12(17)20)7(5-18-13)6-3-2-4-8(15)9(6)16/h2-5H,1H3,(H2,17,20)
InChIKeyWOCKULLOQLVQOY-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.74
Rot. Bonds3

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

7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 137462571) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID137462571
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESCOc1ncc(-c2cccc(F)c2F)c2sc(C(N)=O)nc12
InChIInChI=1S/C14H9F2N3O2S/c1-21-13-10-11(22-14(19-10)12(17)20)7(5-18-13)6-3-2-4-8(15)9(6)16/h2-5H,1H3,(H2,17,20)
InChIKeyWOCKULLOQLVQOY-UHFFFAOYSA-N
XLogP2.74
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.74
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]pyridine-2-carboxamide?
The IUPAC name of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 137462571) is 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is COc1ncc(-c2cccc(F)c2F)c2sc(C(N)=O)nc12.
What is the InChIKey of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is WOCKULLOQLVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c1-21-13-10-11(22-14(19-10)12(17)20)7(5-18-13)6-3-2-4-8(15)9(6)16/h2-5H,1H3,(H2,17,20).
What are the key properties of 7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
7-(2,3-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 2.74, 3 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]pyridine-2-carboxamide is sourced from PubChem (CID 137462571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).