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

C19H16BrN3O3S — CID 3045325

IUPAC5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(Br)c(-c4ccccc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-13-9-12(10-14(25-2)16(13)26-3)18-22-23-17(20)15(21-19(23)27-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyATAQWQJDCPYNMY-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.91
Rot. Bonds5

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

5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3045325) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3045325
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(Br)c(-c4ccccc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H16BrN3O3S/c1-24-13-9-12(10-14(25-2)16(13)26-3)18-22-23-17(20)15(21-19(23)27-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyATAQWQJDCPYNMY-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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Related Compounds

Imidazo(2,1-b)-1,3,4-thiadiazole, 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 353723
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)-
CID 353724
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 2816973
Thiazolo(3,2-b)(1,2,4)-triazole, 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072096
Thiazolo(3,2-b)(1,2,4)triazole, 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072098
(E)-1-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 101887306
(E)-1-[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 101887311
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(naphthalenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3045314
Imidazo(2,1-b)-1,3,4-thiadiazole-5-carboxaldehyde, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 3045315
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-
CID 3045316
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-phenyl-
CID 3045317
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(3,5-dimethoxy-4-ethoxyphenyl)-
CID 3045321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3045325) is 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(-c2nn3c(Br)c(-c4ccccc4)nc3s2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ATAQWQJDCPYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-24-13-9-12(10-14(25-2)16(13)26-3)18-22-23-17(20)15(21-19(23)27-18)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
5-bromo-6-phenyl-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 5-bromo-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3045325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).