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

C10H5BrN2OS — CID 79400583

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2nc(Br)cs2)c1
InChIInChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-3-1-2-7(4-8)5-12/h1-4,6H
InChIKeyCBVQSUFPRUXDFE-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.57
Rot. Bonds2

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

3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile (PubChem CID 79400583) has the molecular formula C10H5BrN2OS and a molecular weight of 281.13 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
PubChem CID79400583
Molecular FormulaC10H5BrN2OS
Molecular Weight281.13 g/mol
Exact Mass279.93
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2nc(Br)cs2)c1
InChIInChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-3-1-2-7(4-8)5-12/h1-4,6H
InChIKeyCBVQSUFPRUXDFE-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

2-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
CID 79399221
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087
3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 73011173
3-[(6-amino-1,3-benzothiazol-2-yl)oxy]benzonitrile
CID 55176316
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
3-[1-(4-bromo-1,3-thiazol-2-yl)-1-hydroxyethyl]benzonitrile
CID 114684428
2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
CID 117189235
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
(3-cyanophenyl) cyanate
CID 134259418
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile (CID 79400583) is 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile is N#Cc1cccc(Oc2nc(Br)cs2)c1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
The InChIKey is CBVQSUFPRUXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2OS/c11-9-6-15-10(13-9)14-8-3-1-2-7(4-8)5-12/h1-4,6H.
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile?
3-[(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 3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile is sourced from PubChem (CID 79400583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).