2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile

C10H5FN2S — CID 118047234

IUPAC2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1nccs1
InChIInChI=1S/C10H5FN2S/c11-9-3-1-2-7(8(9)6-12)10-13-4-5-14-10/h1-5H
InChIKeyGFGIQWAPNZPBJK-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.82
Rot. Bonds1

About 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile

2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile (PubChem CID 118047234) has the molecular formula C10H5FN2S and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
PubChem CID118047234
Molecular FormulaC10H5FN2S
Molecular Weight204.23 g/mol
Exact Mass204.02
IUPAC Name2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1nccs1
InChIInChI=1S/C10H5FN2S/c11-9-3-1-2-7(8(9)6-12)10-13-4-5-14-10/h1-5H
InChIKeyGFGIQWAPNZPBJK-UHFFFAOYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile (CID 118047234) is 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile is N#Cc1c(F)cccc1-c1nccs1.
What is the InChIKey of 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile?
The InChIKey is GFGIQWAPNZPBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2S/c11-9-3-1-2-7(8(9)6-12)10-13-4-5-14-10/h1-5H.
What are the key properties of 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile?
2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile has a molecular weight of 204.23 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile is sourced from PubChem (CID 118047234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).