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

C11H8BrClN4O2S2 — CID 79735975

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)ncc1Br
InChIInChI=1S/C11H8BrClN4O2S2/c1-6-4-8(14-5-7(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5H,1H3,(H,14,16)
InChIKeyBYJMIBSVQFGTEP-UHFFFAOYSA-N
MW407.70 g/mol
LogP3.32
Rot. Bonds3

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

N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 79735975) has the molecular formula C11H8BrClN4O2S2 and a molecular weight of 407.70 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID79735975
Molecular FormulaC11H8BrClN4O2S2
Molecular Weight407.70 g/mol
Exact Mass405.90
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)ncc1Br
InChIInChI=1S/C11H8BrClN4O2S2/c1-6-4-8(14-5-7(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5H,1H3,(H,14,16)
InChIKeyBYJMIBSVQFGTEP-UHFFFAOYSA-N
XLogP3.32
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79736649
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
6-chloro-N-(6-chloro-5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103744918
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62150268
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103947096
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 79735975) is N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BYJMIBSVQFGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O2S2/c1-6-4-8(14-5-7(6)12)16-21(18,19)10-9(13)15-11-17(10)2-3-20-11/h2-5H,1H3,(H,14,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 407.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 79735975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).