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

C14H12F3N3O3S — CID 663737

IUPAC3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)c1
InChIInChI=1S/C14H12F3N3O3S/c1-23-9-4-2-3-8(7-9)10(21)18-13(14(15,16)17)11(22)20-5-6-24-12(20)19-13/h2-4,7H,5-6H2,1H3,(H,18,21)
InChIKeyALLRYESENOQYEZ-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.63
Rot. Bonds3

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

3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 663737) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID663737
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)c1
InChIInChI=1S/C14H12F3N3O3S/c1-23-9-4-2-3-8(7-9)10(21)18-13(14(15,16)17)11(22)20-5-6-24-12(20)19-13/h2-4,7H,5-6H2,1H3,(H,18,21)
InChIKeyALLRYESENOQYEZ-UHFFFAOYSA-N
XLogP1.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 663737) is 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is COc1cccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)c1.
What is the InChIKey of 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is ALLRYESENOQYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-23-9-4-2-3-8(7-9)10(21)18-13(14(15,16)17)11(22)20-5-6-24-12(20)19-13/h2-4,7H,5-6H2,1H3,(H,18,21).
What are the key properties of 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 359.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 663737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).