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

C16H19N3OS — CID 16644204

IUPAC2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1
InChIInChI=1S/C16H19N3OS/c1-3-5-6-15-18-19-11-14(17-16(19)21-15)12-7-9-13(10-8-12)20-4-2/h7-11H,3-6H2,1-2H3
InChIKeyVQRDMBLMGHJSNJ-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.20
Rot. Bonds6

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

2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 16644204) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID16644204
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1
InChIInChI=1S/C16H19N3OS/c1-3-5-6-15-18-19-11-14(17-16(19)21-15)12-7-9-13(10-8-12)20-4-2/h7-11H,3-6H2,1-2H3
InChIKeyVQRDMBLMGHJSNJ-UHFFFAOYSA-N
XLogP4.20
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hexyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209447
6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
CID 23608896
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
6-(3,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209455
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 7539845
6-(2-chlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209453
1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 20729346
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
6-(2,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209454
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 16644204) is 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1.
What is the InChIKey of 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VQRDMBLMGHJSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-5-6-15-18-19-11-14(17-16(19)21-15)12-7-9-13(10-8-12)20-4-2/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 301.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 16644204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).