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

C14H12F3N3O2S — CID 3757861

IUPAC4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1
InChIInChI=1S/C14H12F3N3O2S/c1-8-2-4-9(5-3-8)10(21)18-13(14(15,16)17)11(22)20-6-7-23-12(20)19-13/h2-5H,6-7H2,1H3,(H,18,21)
InChIKeyDYSVXMXYUXTYOV-UHFFFAOYSA-N
MW343.33 g/mol
LogP1.93
Rot. Bonds2

About 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide

4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 3757861) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID3757861
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1
InChIInChI=1S/C14H12F3N3O2S/c1-8-2-4-9(5-3-8)10(21)18-13(14(15,16)17)11(22)20-6-7-23-12(20)19-13/h2-5H,6-7H2,1H3,(H,18,21)
InChIKeyDYSVXMXYUXTYOV-UHFFFAOYSA-N
XLogP1.93
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 3757861) is 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is Cc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1.
What is the InChIKey of 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is DYSVXMXYUXTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-8-2-4-9(5-3-8)10(21)18-13(14(15,16)17)11(22)20-6-7-23-12(20)19-13/h2-5H,6-7H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 3757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).