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

C13H13N3OS — CID 16644191

IUPAC2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3cccc(OC)c3)nc2s1
InChIInChI=1S/C13H13N3OS/c1-3-12-15-16-8-11(14-13(16)18-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3
InChIKeySUEACRYRMGVYFG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.03
Rot. Bonds3

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

2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 16644191) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID16644191
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3cccc(OC)c3)nc2s1
InChIInChI=1S/C13H13N3OS/c1-3-12-15-16-8-11(14-13(16)18-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3
InChIKeySUEACRYRMGVYFG-UHFFFAOYSA-N
XLogP3.03
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 16644191) is 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3cccc(OC)c3)nc2s1.
What is the InChIKey of 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is SUEACRYRMGVYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-3-12-15-16-8-11(14-13(16)18-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 259.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 16644191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).