N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C21H16F3N3OS — CID 134799295

IUPACN-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3OS/c22-21(23,24)16-8-6-15(7-9-16)18-17(26-20-27(18)12-13-29-20)19(28)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,28)
InChIKeyOYDMUTBKEDRZDZ-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.05
Rot. Bonds5

About N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134799295) has the molecular formula C21H16F3N3OS and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134799295
Molecular FormulaC21H16F3N3OS
Molecular Weight415.44 g/mol
Exact Mass415.10
IUPAC NameN-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3OS/c22-21(23,24)16-8-6-15(7-9-16)18-17(26-20-27(18)12-13-29-20)19(28)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,28)
InChIKeyOYDMUTBKEDRZDZ-UHFFFAOYSA-N
XLogP5.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800035
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797411
6-phenyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 142505368
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800055
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795862
N-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798388
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799910
N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797818
N-[3-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]propyl]benzamide
CID 111295499
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134799295) is N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCc1ccccc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is OYDMUTBKEDRZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3OS/c22-21(23,24)16-8-6-15(7-9-16)18-17(26-20-27(18)12-13-29-20)19(28)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,28).
What are the key properties of N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134799295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).