N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide

C19H12F3N3OS — CID 40506177

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-5-1-4-13(9-14)17(26)23-15-6-2-3-12(10-15)16-11-25-7-8-27-18(25)24-16/h1-11H,(H,23,26)
InChIKeyWVQCVIASRTURDA-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.33
Rot. Bonds3

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 40506177) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID40506177
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-5-1-4-13(9-14)17(26)23-15-6-2-3-12(10-15)16-11-25-7-8-27-18(25)24-16/h1-11H,(H,23,26)
InChIKeyWVQCVIASRTURDA-UHFFFAOYSA-N
XLogP5.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide (CID 40506177) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WVQCVIASRTURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)14-5-1-4-13(9-14)17(26)23-15-6-2-3-12(10-15)16-11-25-7-8-27-18(25)24-16/h1-11H,(H,23,26).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 387.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 40506177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).