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

C21H13F6N3OS — CID 134796095

IUPAC5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F6N3OS/c22-20(23,24)14-5-1-3-12(9-14)11-28-18(31)16-17(30-7-8-32-19(30)29-16)13-4-2-6-15(10-13)21(25,26)27/h1-10H,11H2,(H,28,31)
InChIKeyFQJHRGHGFOUIQD-UHFFFAOYSA-N
MW469.41 g/mol
LogP6.03
Rot. Bonds4

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

5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796095) has the molecular formula C21H13F6N3OS and a molecular weight of 469.41 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796095
Molecular FormulaC21H13F6N3OS
Molecular Weight469.41 g/mol
Exact Mass469.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F6N3OS/c22-20(23,24)14-5-1-3-12(9-14)11-28-18(31)16-17(30-7-8-32-19(30)29-16)13-4-2-6-15(10-13)21(25,26)27/h1-10H,11H2,(H,28,31)
InChIKeyFQJHRGHGFOUIQD-UHFFFAOYSA-N
XLogP6.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.41
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796095) is 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FQJHRGHGFOUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3OS/c22-20(23,24)14-5-1-3-12(9-14)11-28-18(31)16-17(30-7-8-32-19(30)29-16)13-4-2-6-15(10-13)21(25,26)27/h1-10H,11H2,(H,28,31).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 469.41 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).