3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile

C13H14N4O2S — CID 103568298

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile
SMILESCCNc1snnc1COc1cc(C#N)cc(OC)c1
InChIInChI=1S/C13H14N4O2S/c1-3-15-13-12(16-17-20-13)8-19-11-5-9(7-14)4-10(6-11)18-2/h4-6,15H,3,8H2,1-2H3
InChIKeyVNUKEWCPWRWZHG-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.43
Rot. Bonds6

About 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile

3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile (PubChem CID 103568298) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile
PubChem CID103568298
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile
SMILESCCNc1snnc1COc1cc(C#N)cc(OC)c1
InChIInChI=1S/C13H14N4O2S/c1-3-15-13-12(16-17-20-13)8-19-11-5-9(7-14)4-10(6-11)18-2/h4-6,15H,3,8H2,1-2H3
InChIKeyVNUKEWCPWRWZHG-UHFFFAOYSA-N
XLogP2.43
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile (CID 103568298) is 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile is CCNc1snnc1COc1cc(C#N)cc(OC)c1.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile?
The InChIKey is VNUKEWCPWRWZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-15-13-12(16-17-20-13)8-19-11-5-9(7-14)4-10(6-11)18-2/h4-6,15H,3,8H2,1-2H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile?
3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile has a molecular weight of 290.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103568298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).