6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C21H16N4O3S — CID 162395748

IUPAC6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3sc(-c4c[nH]c5ccccc45)nn3c2C=O)c1
InChIInChI=1S/C21H16N4O3S/c1-27-12-7-8-18(28-2)14(9-12)19-17(11-26)25-21(23-19)29-20(24-25)15-10-22-16-6-4-3-5-13(15)16/h3-11,22H,1-2H3
InChIKeyGNBHKIYOLNDWOZ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.44
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 162395748) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID162395748
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3sc(-c4c[nH]c5ccccc45)nn3c2C=O)c1
InChIInChI=1S/C21H16N4O3S/c1-27-12-7-8-18(28-2)14(9-12)19-17(11-26)25-21(23-19)29-20(24-25)15-10-22-16-6-4-3-5-13(15)16/h3-11,22H,1-2H3
InChIKeyGNBHKIYOLNDWOZ-UHFFFAOYSA-N
XLogP4.44
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(1H-indol-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652764
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199014
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
CID 1454689
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 162395748) is 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is COc1ccc(OC)c(-c2nc3sc(-c4c[nH]c5ccccc45)nn3c2C=O)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is GNBHKIYOLNDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-27-12-7-8-18(28-2)14(9-12)19-17(11-26)25-21(23-19)29-20(24-25)15-10-22-16-6-4-3-5-13(15)16/h3-11,22H,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 404.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 162395748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).