N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H6BrClFN3O2S2 — CID 65438087

IUPACN-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H6BrClFN3O2S2/c12-7-2-1-6(5-8(7)14)16-21(18,19)10-9(13)15-11-17(10)3-4-20-11/h1-5,16H
InChIKeyGLUZOOJYDZNYGR-UHFFFAOYSA-N
MW410.68 g/mol
LogP3.75
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 65438087) has the molecular formula C11H6BrClFN3O2S2 and a molecular weight of 410.68 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID65438087
Molecular FormulaC11H6BrClFN3O2S2
Molecular Weight410.68 g/mol
Exact Mass408.88
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H6BrClFN3O2S2/c12-7-2-1-6(5-8(7)14)16-21(18,19)10-9(13)15-11-17(10)3-4-20-11/h1-5,16H
InChIKeyGLUZOOJYDZNYGR-UHFFFAOYSA-N
XLogP3.75
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814471
6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62150268
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103744918
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79735975
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 65438087) is N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(Br)c(F)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is GLUZOOJYDZNYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN3O2S2/c12-7-2-1-6(5-8(7)14)16-21(18,19)10-9(13)15-11-17(10)3-4-20-11/h1-5,16H.
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 410.68 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 65438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).