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

C17H9F4N3OS2 — CID 42271129

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1csc2nc(-c3cccs3)cn12
InChIInChI=1S/C17H9F4N3OS2/c18-11-4-3-9(6-10(11)17(19,20)21)22-15(25)13-8-27-16-23-12(7-24(13)16)14-2-1-5-26-14/h1-8H,(H,22,25)
InChIKeyUYDLRUONLYQMQI-UHFFFAOYSA-N
MW411.41 g/mol
LogP5.53
Rot. Bonds3

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

N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271129) has the molecular formula C17H9F4N3OS2 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271129
Molecular FormulaC17H9F4N3OS2
Molecular Weight411.41 g/mol
Exact Mass411.01
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1csc2nc(-c3cccs3)cn12
InChIInChI=1S/C17H9F4N3OS2/c18-11-4-3-9(6-10(11)17(19,20)21)22-15(25)13-8-27-16-23-12(7-24(13)16)14-2-1-5-26-14/h1-8H,(H,22,25)
InChIKeyUYDLRUONLYQMQI-UHFFFAOYSA-N
XLogP5.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126
N-(2-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271089
N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270174
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044639
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
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 61228423
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271129) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1csc2nc(-c3cccs3)cn12.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is UYDLRUONLYQMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N3OS2/c18-11-4-3-9(6-10(11)17(19,20)21)22-15(25)13-8-27-16-23-12(7-24(13)16)14-2-1-5-26-14/h1-8H,(H,22,25).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).