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

C15H17N3OS — CID 9122841

IUPAC2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCc1nn2cc(-c3cccc(OC)c3)nc2s1
InChIInChI=1S/C15H17N3OS/c1-3-4-8-14-17-18-10-13(16-15(18)20-14)11-6-5-7-12(9-11)19-2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeySXJQILZXTLUGGZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.81
Rot. Bonds5

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

2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 9122841) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID9122841
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCc1nn2cc(-c3cccc(OC)c3)nc2s1
InChIInChI=1S/C15H17N3OS/c1-3-4-8-14-17-18-10-13(16-15(18)20-14)11-6-5-7-12(9-11)19-2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeySXJQILZXTLUGGZ-UHFFFAOYSA-N
XLogP3.81
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
6-(3,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209455
2-hexyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209447
6-(2-chlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209453
6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
CID 23608896
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244
6-(2,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209454

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 9122841) is 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCCCc1nn2cc(-c3cccc(OC)c3)nc2s1.
What is the InChIKey of 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is SXJQILZXTLUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-4-8-14-17-18-10-13(16-15(18)20-14)11-6-5-7-12(9-11)19-2/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 287.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 9122841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).