6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

C16H19N3OS — CID 106260326

IUPAC6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(C)cc1-c1cn2nc(CC(C)C)sc2n1
InChIInChI=1S/C16H19N3OS/c1-10(2)7-15-18-19-9-13(17-16(19)21-15)12-8-11(3)5-6-14(12)20-4/h5-6,8-10H,7H2,1-4H3
InChIKeyCZNIMIMXDHLMLF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.97
Rot. Bonds4

About 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 106260326) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID106260326
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(C)cc1-c1cn2nc(CC(C)C)sc2n1
InChIInChI=1S/C16H19N3OS/c1-10(2)7-15-18-19-9-13(17-16(19)21-15)12-8-11(3)5-6-14(12)20-4/h5-6,8-10H,7H2,1-4H3
InChIKeyCZNIMIMXDHLMLF-UHFFFAOYSA-N
XLogP3.97
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole 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-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260110
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260209
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 82294357
6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10236847
4-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43335915
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
[2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462901
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 106260326) is 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(C)cc1-c1cn2nc(CC(C)C)sc2n1.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CZNIMIMXDHLMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)7-15-18-19-9-13(17-16(19)21-15)12-8-11(3)5-6-14(12)20-4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 301.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 106260326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).