6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C15H14N4OS — CID 82219042

IUPAC6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1ccc(-c2nc3sc(COC)nn3c2C#N)cc1
InChIInChI=1S/C15H14N4OS/c1-3-10-4-6-11(7-5-10)14-12(8-16)19-15(17-14)21-13(18-19)9-20-2/h4-7H,3,9H2,1-2H3
InChIKeyIWJVFKBZRGVHBM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.04
Rot. Bonds4

About 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219042) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219042
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1ccc(-c2nc3sc(COC)nn3c2C#N)cc1
InChIInChI=1S/C15H14N4OS/c1-3-10-4-6-11(7-5-10)14-12(8-16)19-15(17-14)21-13(18-19)9-20-2/h4-7H,3,9H2,1-2H3
InChIKeyIWJVFKBZRGVHBM-UHFFFAOYSA-N
XLogP3.04
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219042) is 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CCc1ccc(-c2nc3sc(COC)nn3c2C#N)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is IWJVFKBZRGVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-3-10-4-6-11(7-5-10)14-12(8-16)19-15(17-14)21-13(18-19)9-20-2/h4-7H,3,9H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 298.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).