6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

C21H19BrN4O2S — CID 155562794

IUPAC6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.COc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C21H18N4O2S.BrH/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3;/h4-12H,1-3H3;1H
InChIKeyDAHKSVOTRYSQKM-UHFFFAOYSA-N
MW471.38 g/mol
LogP5.21
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 155562794) has the molecular formula C21H19BrN4O2S and a molecular weight of 471.38 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID155562794
Molecular FormulaC21H19BrN4O2S
Molecular Weight471.38 g/mol
Exact Mass470.04
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.COc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C21H18N4O2S.BrH/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3;/h4-12H,1-3H3;1H
InChIKeyDAHKSVOTRYSQKM-UHFFFAOYSA-N
XLogP5.21
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 155562794) is 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.COc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is DAHKSVOTRYSQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.BrH/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3;/h4-12H,1-3H3;1H.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 471.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 155562794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).