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

C21H16F3N3OS — CID 134798539

IUPAC5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)cc1
InChIInChI=1S/C21H16F3N3OS/c1-13-5-7-15(8-6-13)18-17(26-20-27(18)9-10-29-20)19(28)25-12-14-3-2-4-16(11-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyYYJJPYGUMHRCEG-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.32
Rot. Bonds4

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

5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798539) has the molecular formula C21H16F3N3OS and a molecular weight of 415.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798539
Molecular FormulaC21H16F3N3OS
Molecular Weight415.44 g/mol
Exact Mass415.10
IUPAC Name5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)cc1
InChIInChI=1S/C21H16F3N3OS/c1-13-5-7-15(8-6-13)18-17(26-20-27(18)9-10-29-20)19(28)25-12-14-3-2-4-16(11-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyYYJJPYGUMHRCEG-UHFFFAOYSA-N
XLogP5.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798539) is 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1ccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is YYJJPYGUMHRCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3OS/c1-13-5-7-15(8-6-13)18-17(26-20-27(18)9-10-29-20)19(28)25-12-14-3-2-4-16(11-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).