6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H12N4O2S3 — CID 62146950

IUPAC6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C11H12N4O2S3/c1-14(7-8-3-2-5-18-8)20(16,17)10-9(12)13-11-15(10)4-6-19-11/h2-6H,7,12H2,1H3
InChIKeyNJPFWTCFDJPVHP-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.86
Rot. Bonds4

About 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146950) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146950
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC Name6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C11H12N4O2S3/c1-14(7-8-3-2-5-18-8)20(16,17)10-9(12)13-11-15(10)4-6-19-11/h2-6H,7,12H2,1H3
InChIKeyNJPFWTCFDJPVHP-UHFFFAOYSA-N
XLogP1.86
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158583
6-amino-N,N-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62150681
6-amino-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62856273
6-amino-N-(1-thiophen-2-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63295938
6-amino-N-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62157340
6-amino-N-methyl-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62157989
6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62157865
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813970
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813639
6-chloro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 154835170
5-(2-aminopropyl)-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63785647

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146950) is 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(Cc1cccs1)S(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is NJPFWTCFDJPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-14(7-8-3-2-5-18-8)20(16,17)10-9(12)13-11-15(10)4-6-19-11/h2-6H,7,12H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).