2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

C20H19F2N3S — CID 3995617

IUPAC2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(F)c(-c2cn3nc(C45CC6CC(CC(C6)C4)C5)sc3n2)c1
InChIInChI=1S/C20H19F2N3S/c21-14-1-2-16(22)15(6-14)17-10-25-19(23-17)26-18(24-25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2
InChIKeyZELDUQGKNSIWDS-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.20
Rot. Bonds2

About 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3995617) has the molecular formula C20H19F2N3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3995617
Molecular FormulaC20H19F2N3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(F)c(-c2cn3nc(C45CC6CC(CC(C6)C4)C5)sc3n2)c1
InChIInChI=1S/C20H19F2N3S/c21-14-1-2-16(22)15(6-14)17-10-25-19(23-17)26-18(24-25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2
InChIKeyZELDUQGKNSIWDS-UHFFFAOYSA-N
XLogP5.20
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-6-(2,5-difluorophenyl)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

2,6-Diphenylimidazo[2,1-b][1,3,4]thiadiazole
CID 867602
1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
2-Methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 2999713
2-Methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 3000039
2-Pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 15653274
2-Methoxy-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051219
2-Methoxy-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051221
6-[4-Fluoro-3-(trifluoromethyl)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051298
6-(2,4-Difluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051301
6-(3-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051309
6-(2-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051315
6-(4-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051372

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3995617) is 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc(F)c(-c2cn3nc(C45CC6CC(CC(C6)C4)C5)sc3n2)c1.
What is the InChIKey of 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZELDUQGKNSIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3S/c21-14-1-2-16(22)15(6-14)17-10-25-19(23-17)26-18(24-25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2.
What are the key properties of 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 371.46 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-(2,5-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3995617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).