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

C19H16BrN3O3S — CID 3045327

IUPAC6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-22-23-10-14(21-19(23)27-18)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeyIPWYCNSFJORNEG-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.91
Rot. Bonds5

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

6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3045327) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3045327
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-22-23-10-14(21-19(23)27-18)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeyIPWYCNSFJORNEG-UHFFFAOYSA-N
XLogP4.91
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3045327) is 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC.
What is the InChIKey of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IPWYCNSFJORNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-22-23-10-14(21-19(23)27-18)11-4-6-13(20)7-5-11/h4-10H,1-3H3.
What are the key properties of 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 446.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3045327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).