3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

C11H7BrN2S — CID 4574587

IUPAC3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc(-c2csc3nccn23)cc1
InChIInChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H
InChIKeyLVDOGHLCDFUJNK-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.83
Rot. Bonds1

About 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 4574587) has the molecular formula C11H7BrN2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID4574587
Molecular FormulaC11H7BrN2S
Molecular Weight279.16 g/mol
Exact Mass277.95
IUPAC Name3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc(-c2csc3nccn23)cc1
InChIInChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H
InChIKeyLVDOGHLCDFUJNK-UHFFFAOYSA-N
XLogP3.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole (CID 4574587) is 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole is Brc1ccc(-c2csc3nccn23)cc1.
What is the InChIKey of 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is LVDOGHLCDFUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H.
What are the key properties of 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole?
3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 279.16 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).