N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C21H17FN4O4S2 — CID 43953478

IUPACN-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1
InChIInChI=1S/C21H17FN4O4S2/c1-12-19(31-21-24-18(11-26(12)21)14-3-5-15(22)6-4-14)20(28)23-16-7-9-17(10-8-16)32(29,30)25-13(2)27/h3-11H,1-2H3,(H,23,28)(H,25,27)
InChIKeyGIHNICQOBSNCHH-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.59
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 43953478) has the molecular formula C21H17FN4O4S2 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID43953478
Molecular FormulaC21H17FN4O4S2
Molecular Weight472.52 g/mol
Exact Mass472.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1
InChIInChI=1S/C21H17FN4O4S2/c1-12-19(31-21-24-18(11-26(12)21)14-3-5-15(22)6-4-14)20(28)23-16-7-9-17(10-8-16)32(29,30)25-13(2)27/h3-11H,1-2H3,(H,23,28)(H,25,27)
InChIKeyGIHNICQOBSNCHH-UHFFFAOYSA-N
XLogP3.59
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164193
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348866
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27542845
N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578767
N-[2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031541
N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348877
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164164
6-(4-fluorophenyl)-3-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084778

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 43953478) is N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GIHNICQOBSNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S2/c1-12-19(31-21-24-18(11-26(12)21)14-3-5-15(22)6-4-14)20(28)23-16-7-9-17(10-8-16)32(29,30)25-13(2)27/h3-11H,1-2H3,(H,23,28)(H,25,27).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 43953478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).