3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile

C11H5N3OS — CID 90715403

IUPAC3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2nccs2)c1C#N
InChIInChI=1S/C11H5N3OS/c12-6-8-2-1-3-10(9(8)7-13)15-11-14-4-5-16-11/h1-5H
InChIKeyYOVVFZHQUTUFRW-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.68
Rot. Bonds2

About 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile

3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile (PubChem CID 90715403) has the molecular formula C11H5N3OS and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile
PubChem CID90715403
Molecular FormulaC11H5N3OS
Molecular Weight227.25 g/mol
Exact Mass227.02
IUPAC Name3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2nccs2)c1C#N
InChIInChI=1S/C11H5N3OS/c12-6-8-2-1-3-10(9(8)7-13)15-11-14-4-5-16-11/h1-5H
InChIKeyYOVVFZHQUTUFRW-UHFFFAOYSA-N
XLogP2.68
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
CID 90693997
2-(2-chlorophenoxy)-1,3-thiazole
CID 117189206
3-[4-(4-phenoxyphenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19895074
3-(2-phenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667741
2-(2,6-dimethoxyphenoxy)-1,3-thiazole
CID 141204146
2-[(2-methyl-3-pyridinyl)oxy]-1,3-thiazole
CID 155798528
3-(3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 68696975
2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole
CID 117189198
3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 141490730
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 19895093
2-(2,6-dibromophenoxy)-1,3-thiazole
CID 91068222

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile (CID 90715403) is 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile is N#Cc1cccc(Oc2nccs2)c1C#N.
What is the InChIKey of 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile?
The InChIKey is YOVVFZHQUTUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3OS/c12-6-8-2-1-3-10(9(8)7-13)15-11-14-4-5-16-11/h1-5H.
What are the key properties of 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile?
3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile has a molecular weight of 227.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 90715403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).