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

C12H10FN3S — CID 49432111

IUPAC2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCc1nccs1
InChIInChI=1S/C12H10FN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2
InChIKeyNWEQYMMJJSCMNC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.81
Rot. Bonds4

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

2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile (PubChem CID 49432111) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
PubChem CID49432111
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCc1nccs1
InChIInChI=1S/C12H10FN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2
InChIKeyNWEQYMMJJSCMNC-UHFFFAOYSA-N
XLogP2.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile (CID 49432111) is 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile is N#Cc1c(F)cccc1NCCc1nccs1.
What is the InChIKey of 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The InChIKey is NWEQYMMJJSCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2.
What are the key properties of 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile has a molecular weight of 247.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 49432111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).