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

C20H17BrN4OS — CID 155511957

IUPAC6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.COc1cccc(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C20H16N4OS.BrH/c1-23-11-16(15-8-3-4-9-18(15)23)19-22-24-12-17(21-20(24)26-19)13-6-5-7-14(10-13)25-2;/h3-12H,1-2H3;1H
InChIKeyUEHHOODIFPMFRV-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.20
Rot. Bonds3

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

6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 155511957) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID155511957
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC Name6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.COc1cccc(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C20H16N4OS.BrH/c1-23-11-16(15-8-3-4-9-18(15)23)19-22-24-12-17(21-20(24)26-19)13-6-5-7-14(10-13)25-2;/h3-12H,1-2H3;1H
InChIKeyUEHHOODIFPMFRV-UHFFFAOYSA-N
XLogP5.20
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 155511957) is 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.COc1cccc(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is UEHHOODIFPMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.BrH/c1-23-11-16(15-8-3-4-9-18(15)23)19-22-24-12-17(21-20(24)26-19)13-6-5-7-14(10-13)25-2;/h3-12H,1-2H3;1H.
What are the key properties of 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 441.35 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 155511957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).