5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile

C11H5N3OS — CID 90799556

IUPAC5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Oc2cncs2)c1
InChIInChI=1S/C11H5N3OS/c12-4-8-1-9(5-13)3-10(2-8)15-11-6-14-7-16-11/h1-3,6-7H
InChIKeyVDTYSRYZFNKALV-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.68
Rot. Bonds2

About 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile

5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile (PubChem CID 90799556) has the molecular formula C11H5N3OS and a molecular weight of 227.25 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile
PubChem CID90799556
Molecular FormulaC11H5N3OS
Molecular Weight227.25 g/mol
Exact Mass227.02
IUPAC Name5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Oc2cncs2)c1
InChIInChI=1S/C11H5N3OS/c12-4-8-1-9(5-13)3-10(2-8)15-11-6-14-7-16-11/h1-3,6-7H
InChIKeyVDTYSRYZFNKALV-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

5-phenoxybenzene-1,3-dicarbonitrile
CID 76539682
4-(1,3-thiazol-5-yloxy)benzamide
CID 142116929
5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 22337711
5-(difluoromethoxy)-1,3-thiazole
CID 154460414
3-fluoro-5-(1,3-thiazol-5-ylmethylamino)benzonitrile
CID 102817474
5-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 135037040
5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
CID 69491684
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile
CID 68513130
5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
CID 18925381
4-[hydroxy(1,3-thiazol-5-yl)methyl]benzonitrile
CID 18949024

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile (CID 90799556) is 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(Oc2cncs2)c1.
What is the InChIKey of 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile?
The InChIKey is VDTYSRYZFNKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3OS/c12-4-8-1-9(5-13)3-10(2-8)15-11-6-14-7-16-11/h1-3,6-7H.
What are the key properties of 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile?
5-(1,3-thiazol-5-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 5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 90799556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).