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

C11H10BrN5O2S2 — CID 79736649

IUPAC6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ncc1Br
InChIInChI=1S/C11H10BrN5O2S2/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,13H2,1H3,(H,14,16)
InChIKeyTWNOTISVJXVCEU-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.24
Rot. Bonds3

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

6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 79736649) has the molecular formula C11H10BrN5O2S2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID79736649
Molecular FormulaC11H10BrN5O2S2
Molecular Weight388.27 g/mol
Exact Mass386.95
IUPAC Name6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ncc1Br
InChIInChI=1S/C11H10BrN5O2S2/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,13H2,1H3,(H,14,16)
InChIKeyTWNOTISVJXVCEU-UHFFFAOYSA-N
XLogP2.24
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 79736649) is 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ncc1Br.
What is the InChIKey of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is TWNOTISVJXVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2S2/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,13H2,1H3,(H,14,16).
What are the key properties of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 388.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 79736649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).