2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile

C11H9N3OS — CID 59957028

IUPAC2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccccc2C#N)ns1
InChIInChI=1S/C11H9N3OS/c1-8-13-11(14-16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3
InChIKeyNGLYUROAKSWHRR-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.30
Rot. Bonds3

About 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile

2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile (PubChem CID 59957028) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile
PubChem CID59957028
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccccc2C#N)ns1
InChIInChI=1S/C11H9N3OS/c1-8-13-11(14-16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3
InChIKeyNGLYUROAKSWHRR-UHFFFAOYSA-N
XLogP2.30
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 46531300
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31438227
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 37324478
2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147
2-(methoxymethoxy)benzonitrile
CID 10352018
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 63296898
2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzonitrile
CID 65416219
2-(cyanomethoxy)benzonitrile
CID 4156437

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile (CID 59957028) is 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile is Cc1nc(COc2ccccc2C#N)ns1.
What is the InChIKey of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile?
The InChIKey is NGLYUROAKSWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-8-13-11(14-16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile?
2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile has a molecular weight of 231.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 59957028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).