6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

C12H10BrN3S — CID 703338

IUPAC6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C12H10BrN3S/c1-2-11-15-16-7-10(14-12(16)17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyMQVVYOBJKMZOEB-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.78
Rot. Bonds2

About 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 703338) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID703338
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C12H10BrN3S/c1-2-11-15-16-7-10(14-12(16)17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyMQVVYOBJKMZOEB-UHFFFAOYSA-N
XLogP3.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (CID 703338) is 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3ccc(Br)cc3)nc2s1.
What is the InChIKey of 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MQVVYOBJKMZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c1-2-11-15-16-7-10(14-12(16)17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 308.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 703338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).