2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile

C10H5BrN2OS — CID 79399221

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1nc(Br)cs1
InChIInChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-4-2-1-3-7(8)5-12/h1-4,6H
InChIKeyANCOOMUUOOVRKW-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.57
Rot. Bonds2

About 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile

2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile (PubChem CID 79399221) has the molecular formula C10H5BrN2OS and a molecular weight of 281.13 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
PubChem CID79399221
Molecular FormulaC10H5BrN2OS
Molecular Weight281.13 g/mol
Exact Mass279.93
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1nc(Br)cs1
InChIInChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-4-2-1-3-7(8)5-12/h1-4,6H
InChIKeyANCOOMUUOOVRKW-UHFFFAOYSA-N
XLogP3.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
CID 79399117
2-(2-cyanophenoxy)benzonitrile
CID 13435570
3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
CID 79400583
4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole
CID 116688950
4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole
CID 79399592
4-bromo-2-pyridin-3-yloxy-1,3-thiazole
CID 79398986
2-(3-bromophenoxy)benzonitrile
CID 28602353
2-[[4-[4-(quinazolin-4-ylamino)but-1-ynyl]-1,3-thiazol-2-yl]oxy]benzonitrile
CID 67610155
2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
(2-cyanophenyl) hypoiodite
CID 154315791
4-(2-cyanophenoxy)thiophene-2-carboxylic acid
CID 66438025
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
CID 80862632

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile (CID 79399221) is 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile is N#Cc1ccccc1Oc1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The InChIKey is ANCOOMUUOOVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-4-2-1-3-7(8)5-12/h1-4,6H.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile has a molecular weight of 281.13 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile is sourced from PubChem (CID 79399221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).