6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C16H16N4O2S — CID 82219222

IUPAC6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc3sc(C(C)C)nn3c2C#N)c1
InChIInChI=1S/C16H16N4O2S/c1-9(2)15-19-20-12(8-17)14(18-16(20)23-15)11-7-10(21-3)5-6-13(11)22-4/h5-7,9H,1-4H3
InChIKeyYEYSLSDMYCBESP-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.47
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219222) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219222
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc3sc(C(C)C)nn3c2C#N)c1
InChIInChI=1S/C16H16N4O2S/c1-9(2)15-19-20-12(8-17)14(18-16(20)23-15)11-7-10(21-3)5-6-13(11)22-4/h5-7,9H,1-4H3
InChIKeyYEYSLSDMYCBESP-UHFFFAOYSA-N
XLogP3.47
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219513
2-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
6-(3,4-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197871
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961566
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
3-(4-methoxyphenyl)-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841812
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
2-[(2-methoxyphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219337

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219222) is 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is COc1ccc(OC)c(-c2nc3sc(C(C)C)nn3c2C#N)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is YEYSLSDMYCBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(2)15-19-20-12(8-17)14(18-16(20)23-15)11-7-10(21-3)5-6-13(11)22-4/h5-7,9H,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 328.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).