5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile

C14H7FN2OS — CID 167505507

IUPAC5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile
SMILESN#Cc1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H7FN2OS/c15-12-3-1-10(5-9(12)7-16)18-11-2-4-14-13(6-11)17-8-19-14/h1-6,8H
InChIKeyJTHOUHFQXLEEBU-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.10
Rot. Bonds2

About 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile

5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile (PubChem CID 167505507) has the molecular formula C14H7FN2OS and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile
PubChem CID167505507
Molecular FormulaC14H7FN2OS
Molecular Weight270.29 g/mol
Exact Mass270.03
IUPAC Name5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile
SMILESN#Cc1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H7FN2OS/c15-12-3-1-10(5-9(12)7-16)18-11-2-4-14-13(6-11)17-8-19-14/h1-6,8H
InChIKeyJTHOUHFQXLEEBU-UHFFFAOYSA-N
XLogP4.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile?
The IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile (CID 167505507) is 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile?
The canonical SMILES for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile is N#Cc1cc(Oc2ccc3scnc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile?
The InChIKey is JTHOUHFQXLEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2OS/c15-12-3-1-10(5-9(12)7-16)18-11-2-4-14-13(6-11)17-8-19-14/h1-6,8H.
What are the key properties of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile?
5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzonitrile is sourced from PubChem (CID 167505507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).