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

C16H11N5OS2 — CID 171716189

IUPAC2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2[nH]cc(-c3nn4cc(-c5nccs5)nc4s3)c2c1
InChIInChI=1S/C16H11N5OS2/c1-22-9-2-3-12-10(6-9)11(7-18-12)14-20-21-8-13(19-16(21)24-14)15-17-4-5-23-15/h2-8,18H,1H3
InChIKeyRAWPKDORDJQSEV-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.07
Rot. Bonds3

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

2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171716189) has the molecular formula C16H11N5OS2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171716189
Molecular FormulaC16H11N5OS2
Molecular Weight353.43 g/mol
Exact Mass353.04
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2[nH]cc(-c3nn4cc(-c5nccs5)nc4s3)c2c1
InChIInChI=1S/C16H11N5OS2/c1-22-9-2-3-12-10(6-9)11(7-18-12)14-20-21-8-13(19-16(21)24-14)15-17-4-5-23-15/h2-8,18H,1H3
InChIKeyRAWPKDORDJQSEV-UHFFFAOYSA-N
XLogP4.07
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
CID 71027685
6-(1H-indol-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652764
2-(5-bromo-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155535813
2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155534946
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
1-tert-butyl-6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
CID 135765466
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 162395748
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70148912
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 171716189) is 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc2[nH]cc(-c3nn4cc(-c5nccs5)nc4s3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is RAWPKDORDJQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS2/c1-22-9-2-3-12-10(6-9)11(7-18-12)14-20-21-8-13(19-16(21)24-14)15-17-4-5-23-15/h2-8,18H,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 353.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171716189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).