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

C18H16N4O3S3 — CID 42270177

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C18H16N4O3S3/c19-28(24,25)13-5-3-12(4-6-13)7-8-20-17(23)15-11-27-18-21-14(10-22(15)18)16-2-1-9-26-16/h1-6,9-11H,7-8H2,(H,20,23)(H2,19,24,25)
InChIKeyBFVBQLJUSCOQBJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.74
Rot. Bonds6

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

N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270177) has the molecular formula C18H16N4O3S3 and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270177
Molecular FormulaC18H16N4O3S3
Molecular Weight432.55 g/mol
Exact Mass432.04
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C18H16N4O3S3/c19-28(24,25)13-5-3-12(4-6-13)7-8-20-17(23)15-11-27-18-21-14(10-22(15)18)16-2-1-9-26-16/h1-6,9-11H,7-8H2,(H,20,23)(H2,19,24,25)
InChIKeyBFVBQLJUSCOQBJ-UHFFFAOYSA-N
XLogP2.74
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270174
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 121038232
N-(2-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271089
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628153
(2S)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 52904241
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 2353740
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270177) is N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4cccs4)cn23)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BFVBQLJUSCOQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S3/c19-28(24,25)13-5-3-12(4-6-13)7-8-20-17(23)15-11-27-18-21-14(10-22(15)18)16-2-1-9-26-16/h1-6,9-11H,7-8H2,(H,20,23)(H2,19,24,25).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).