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

C20H19N3O4S — CID 3045329

IUPAC6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cn3nc(-c4cc(OC)c(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-23-20(21-15)28-19(22-23)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyUTTLCZJAFDXPKC-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.16
Rot. Bonds6

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

6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3045329) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3045329
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cn3nc(-c4cc(OC)c(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-23-20(21-15)28-19(22-23)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3
InChIKeyUTTLCZJAFDXPKC-UHFFFAOYSA-N
XLogP4.16
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3045329) is 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2cn3nc(-c4cc(OC)c(OC)c(OC)c4)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UTTLCZJAFDXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-24-14-7-5-12(6-8-14)15-11-23-20(21-15)28-19(22-23)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 397.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3045329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).