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

C12H11BrN4O2S2 — CID 62150268

IUPAC6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ccc1Br
InChIInChI=1S/C12H11BrN4O2S2/c1-7-6-8(2-3-9(7)13)16-21(18,19)11-10(14)15-12-17(11)4-5-20-12/h2-6,16H,14H2,1H3
InChIKeyDQWCRIVMPNUHLW-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.85
Rot. Bonds3

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

6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62150268) has the molecular formula C12H11BrN4O2S2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62150268
Molecular FormulaC12H11BrN4O2S2
Molecular Weight387.28 g/mol
Exact Mass385.95
IUPAC Name6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ccc1Br
InChIInChI=1S/C12H11BrN4O2S2/c1-7-6-8(2-3-9(7)13)16-21(18,19)11-10(14)15-12-17(11)4-5-20-12/h2-6,16H,14H2,1H3
InChIKeyDQWCRIVMPNUHLW-UHFFFAOYSA-N
XLogP2.85
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62150268) is 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2c(N)nc3sccn23)ccc1Br.
What is the InChIKey of 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DQWCRIVMPNUHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S2/c1-7-6-8(2-3-9(7)13)16-21(18,19)11-10(14)15-12-17(11)4-5-20-12/h2-6,16H,14H2,1H3.
What are the key properties of 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 387.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62150268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).