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

C21H16F3N3O2S — CID 134797745

IUPAC5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(11-16)18-17(26-20-27(18)8-9-30-20)19(28)25-12-13-4-2-6-15(10-13)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyORRMXJQFBQEKDB-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.02
Rot. Bonds5

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

5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797745) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797745
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(11-16)18-17(26-20-27(18)8-9-30-20)19(28)25-12-13-4-2-6-15(10-13)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyORRMXJQFBQEKDB-UHFFFAOYSA-N
XLogP5.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797745) is 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(-c2c(C(=O)NCc3cccc(C(F)(F)F)c3)nc3sccn23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is ORRMXJQFBQEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(11-16)18-17(26-20-27(18)8-9-30-20)19(28)25-12-13-4-2-6-15(10-13)21(22,23)24/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).