2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile

C11H7FN2OS — CID 10609721

IUPAC2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C11H7FN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2
InChIKeyLDRGNZHCMIAVGL-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.73
Rot. Bonds3

About 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile

2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile (PubChem CID 10609721) has the molecular formula C11H7FN2OS and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
PubChem CID10609721
Molecular FormulaC11H7FN2OS
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC Name2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C11H7FN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2
InChIKeyLDRGNZHCMIAVGL-UHFFFAOYSA-N
XLogP2.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The IUPAC name of 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile (CID 10609721) is 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2cncs2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The InChIKey is LDRGNZHCMIAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2.
What are the key properties of 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile is sourced from PubChem (CID 10609721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).