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

C17H10Br2ClN3S — CID 118710853

IUPAC5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(Cc2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc1
InChIInChI=1S/C17H10Br2ClN3S/c18-12-5-3-11(4-6-12)15-16(19)23-17(21-15)24-14(22-23)9-10-1-7-13(20)8-2-10/h1-8H,9H2
InChIKeyNILLEGVUYOMDAU-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.23
Rot. Bonds3

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

5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118710853) has the molecular formula C17H10Br2ClN3S and a molecular weight of 483.62 g/mol. Its IUPAC name is 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118710853
Molecular FormulaC17H10Br2ClN3S
Molecular Weight483.62 g/mol
Exact Mass480.87
IUPAC Name5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(Cc2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc1
InChIInChI=1S/C17H10Br2ClN3S/c18-12-5-3-11(4-6-12)15-16(19)23-17(21-15)24-14(22-23)9-10-1-7-13(20)8-2-10/h1-8H,9H2
InChIKeyNILLEGVUYOMDAU-UHFFFAOYSA-N
XLogP6.23
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]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-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 118710853) is 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(Cc2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc1.
What is the InChIKey of 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NILLEGVUYOMDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClN3S/c18-12-5-3-11(4-6-12)15-16(19)23-17(21-15)24-14(22-23)9-10-1-7-13(20)8-2-10/h1-8H,9H2.
What are the key properties of 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole?
5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 483.62 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118710853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).