N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide

C13H10F3N3O2S — CID 2962300

IUPACN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1
InChIInChI=1S/C13H10F3N3O2S/c14-13(15,16)12(10(21)19-6-7-22-11(19)18-12)17-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,20)
InChIKeyRWTQXLQUHYAETQ-UHFFFAOYSA-N
MW329.30 g/mol
LogP1.62
Rot. Bonds2

About N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide

N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 2962300) has the molecular formula C13H10F3N3O2S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID2962300
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
Exact Mass329.04
IUPAC NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1
InChIInChI=1S/C13H10F3N3O2S/c14-13(15,16)12(10(21)19-6-7-22-11(19)18-12)17-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,20)
InChIKeyRWTQXLQUHYAETQ-UHFFFAOYSA-N
XLogP1.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 2962300) is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1.
What is the InChIKey of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is RWTQXLQUHYAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S/c14-13(15,16)12(10(21)19-6-7-22-11(19)18-12)17-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,20).
What are the key properties of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 329.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 2962300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).