2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile

C14H7FN4S — CID 166911339

IUPAC2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile
SMILES[H]/N=C/c1nc2ncsc2cc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C14H7FN4S/c15-11-2-1-8(3-9(11)5-16)10-4-13-14(18-7-20-13)19-12(10)6-17/h1-4,6-7,17H/b17-6+
InChIKeyJQYYAWGNIHKPFC-UBKPWBPPSA-N
MW282.30 g/mol
LogP3.37
Rot. Bonds2

About 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile

2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile (PubChem CID 166911339) has the molecular formula C14H7FN4S and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile
PubChem CID166911339
Molecular FormulaC14H7FN4S
Molecular Weight282.30 g/mol
Exact Mass282.04
IUPAC Name2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile
SMILES[H]/N=C/c1nc2ncsc2cc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C14H7FN4S/c15-11-2-1-8(3-9(11)5-16)10-4-13-14(18-7-20-13)19-12(10)6-17/h1-4,6-7,17H/b17-6+
InChIKeyJQYYAWGNIHKPFC-UBKPWBPPSA-N
XLogP3.37
TPSA73.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile (CID 166911339) is 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile is [H]/N=C/c1nc2ncsc2cc1-c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile?
The InChIKey is JQYYAWGNIHKPFC-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H7FN4S/c15-11-2-1-8(3-9(11)5-16)10-4-13-14(18-7-20-13)19-12(10)6-17/h1-4,6-7,17H/b17-6+.
What are the key properties of 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile?
2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile has a molecular weight of 282.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-methanimidoyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzonitrile is sourced from PubChem (CID 166911339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).