4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile

C11H5N3OS — CID 91232568

IUPAC4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(Oc2cscn2)c(C#N)c1
InChIInChI=1S/C11H5N3OS/c12-4-8-1-2-10(9(3-8)5-13)15-11-6-16-7-14-11/h1-3,6-7H
InChIKeyWKLZFGPNEAXDMZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.68
Rot. Bonds2

About 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile

4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile (PubChem CID 91232568) has the molecular formula C11H5N3OS and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile
PubChem CID91232568
Molecular FormulaC11H5N3OS
Molecular Weight227.25 g/mol
Exact Mass227.02
IUPAC Name4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(Oc2cscn2)c(C#N)c1
InChIInChI=1S/C11H5N3OS/c12-4-8-1-2-10(9(3-8)5-13)15-11-6-16-7-14-11/h1-3,6-7H
InChIKeyWKLZFGPNEAXDMZ-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

4-(1,3-thiazol-4-yl)benzene-1,2-dicarbonitrile
CID 76539824
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-(3,5-dimethoxyphenoxy)-1,3-thiazole
CID 141204129
(2,4-dicyanophenyl) acetate
CID 86110508
3-methyl-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525960
5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646
4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile
CID 103792103
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
CID 78952690
3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 59436540
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683
4-(4-bromo-2-cyanophenoxy)-3-nitrobenzonitrile
CID 115694814
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile (CID 91232568) is 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile is N#Cc1ccc(Oc2cscn2)c(C#N)c1.
What is the InChIKey of 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile?
The InChIKey is WKLZFGPNEAXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3OS/c12-4-8-1-2-10(9(3-8)5-13)15-11-6-16-7-14-11/h1-3,6-7H.
What are the key properties of 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile?
4-(1,3-thiazol-4-yloxy)benzene-1,3-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 4-(1,3-thiazol-4-yloxy)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 91232568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).