6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

C16H19N3OS — CID 7539874

IUPAC6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1
InChIInChI=1S/C16H19N3OS/c1-4-20-13-7-5-12(6-8-13)14-10-19-16(17-14)21-15(18-19)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCFJWROJZAKKVBC-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.05
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 7539874) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID7539874
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1
InChIInChI=1S/C16H19N3OS/c1-4-20-13-7-5-12(6-8-13)14-10-19-16(17-14)21-15(18-19)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCFJWROJZAKKVBC-UHFFFAOYSA-N
XLogP4.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 7539874) is 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is CCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CFJWROJZAKKVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-20-13-7-5-12(6-8-13)14-10-19-16(17-14)21-15(18-19)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 301.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 7539874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).