N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide

C13H8FN3OS — CID 176655163

IUPACN-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(F)c2s1)c1ccccc1
InChIInChI=1S/C13H8FN3OS/c14-9-6-7-15-11-10(9)19-13(16-11)17-12(18)8-4-2-1-3-5-8/h1-7H,(H,15,16,17,18)
InChIKeyMOQSYGJUSOOFIQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

About N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide

N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 176655163) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide
PubChem CID176655163
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(F)c2s1)c1ccccc1
InChIInChI=1S/C13H8FN3OS/c14-9-6-7-15-11-10(9)19-13(16-11)17-12(18)8-4-2-1-3-5-8/h1-7H,(H,15,16,17,18)
InChIKeyMOQSYGJUSOOFIQ-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide (CID 176655163) is N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide is O=C(Nc1nc2nccc(F)c2s1)c1ccccc1.
What is the InChIKey of N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is MOQSYGJUSOOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-9-6-7-15-11-10(9)19-13(16-11)17-12(18)8-4-2-1-3-5-8/h1-7H,(H,15,16,17,18).
What are the key properties of N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide?
N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 273.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 176655163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).