5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C19H15Br2N3O3S — CID 3045324

IUPAC5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H15Br2N3O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)18-23-24-17(21)15(22-19(24)28-18)10-4-6-12(20)7-5-10/h4-9H,1-3H3
InChIKeyAQQSOTDIWIUETJ-UHFFFAOYSA-N
MW525.22 g/mol
LogP5.68
Rot. Bonds5

About 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3045324) has the molecular formula C19H15Br2N3O3S and a molecular weight of 525.22 g/mol. Its IUPAC name is 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3045324
Molecular FormulaC19H15Br2N3O3S
Molecular Weight525.22 g/mol
Exact Mass522.92
IUPAC Name5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H15Br2N3O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)18-23-24-17(21)15(22-19(24)28-18)10-4-6-12(20)7-5-10/h4-9H,1-3H3
InChIKeyAQQSOTDIWIUETJ-UHFFFAOYSA-N
XLogP5.68
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.22
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3045324) is 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(-c2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is AQQSOTDIWIUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2N3O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)18-23-24-17(21)15(22-19(24)28-18)10-4-6-12(20)7-5-10/h4-9H,1-3H3.
What are the key properties of 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 525.22 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3045324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).