6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H11BrN4O2S3 — CID 62158583

IUPAC6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C11H11BrN4O2S3/c1-15(5-8-4-7(12)6-20-8)21(17,18)10-9(13)14-11-16(10)2-3-19-11/h2-4,6H,5,13H2,1H3
InChIKeyURHDVAUGOGFPSM-UHFFFAOYSA-N
MW407.34 g/mol
LogP2.62
Rot. Bonds4

About 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62158583) has the molecular formula C11H11BrN4O2S3 and a molecular weight of 407.34 g/mol. Its IUPAC name is 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62158583
Molecular FormulaC11H11BrN4O2S3
Molecular Weight407.34 g/mol
Exact Mass405.92
IUPAC Name6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C11H11BrN4O2S3/c1-15(5-8-4-7(12)6-20-8)21(17,18)10-9(13)14-11-16(10)2-3-19-11/h2-4,6H,5,13H2,1H3
InChIKeyURHDVAUGOGFPSM-UHFFFAOYSA-N
XLogP2.62
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 2738764
6-amino-N-(2-bromo-4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62143893
6-amino-N-(5-bromo-2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62147686
6-amino-N-(4-bromo-2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149218
6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65435445
6-amino-N-(3-bromo-4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 104781534
6-amino-N-(2-bromo-6-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107603201
6-amino-N-(2-bromo-5-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107630770
5-[[(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide
CID 24508637
N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34009842
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 40729103
1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 49806633

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62158583) is 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(Cc1cc(Br)cs1)S(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is URHDVAUGOGFPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S3/c1-15(5-8-4-7(12)6-20-8)21(17,18)10-9(13)14-11-16(10)2-3-19-11/h2-4,6H,5,13H2,1H3.
What are the key properties of 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 407.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62158583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).