N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H12N4O3S3 — CID 42270174

IUPACN-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C16H12N4O3S3/c17-26(22,23)11-5-3-10(4-6-11)18-15(21)13-9-25-16-19-12(8-20(13)16)14-2-1-7-24-14/h1-9H,(H,18,21)(H2,17,22,23)
InChIKeyUGBVDUTXSLKIRY-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.02
Rot. Bonds4

About N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270174) has the molecular formula C16H12N4O3S3 and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270174
Molecular FormulaC16H12N4O3S3
Molecular Weight404.50 g/mol
Exact Mass404.01
IUPAC NameN-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C16H12N4O3S3/c17-26(22,23)11-5-3-10(4-6-11)18-15(21)13-9-25-16-19-12(8-20(13)16)14-2-1-7-24-14/h1-9H,(H,18,21)(H2,17,22,23)
InChIKeyUGBVDUTXSLKIRY-UHFFFAOYSA-N
XLogP3.02
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270177
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271129
N-(2-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271089
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-sulfamoylbenzamide
CID 7488144
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
N-(4-carbamoylphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271610
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270174) is N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is UGBVDUTXSLKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S3/c17-26(22,23)11-5-3-10(4-6-11)18-15(21)13-9-25-16-19-12(8-20(13)16)14-2-1-7-24-14/h1-9H,(H,18,21)(H2,17,22,23).
What are the key properties of N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).