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

C11H14F3N3O2S — CID 40635031

IUPAC3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide
SMILESCC(C)CC(=O)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C11H14F3N3O2S/c1-6(2)5-7(18)15-10(11(12,13)14)8(19)17-3-4-20-9(17)16-10/h6H,3-5H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGXJUJKLZUDXMOU-JTQLQIEISA-N
MW309.31 g/mol
LogP1.35
Rot. Bonds3

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

3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide (PubChem CID 40635031) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide
PubChem CID40635031
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide
SMILESCC(C)CC(=O)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C11H14F3N3O2S/c1-6(2)5-7(18)15-10(11(12,13)14)8(19)17-3-4-20-9(17)16-10/h6H,3-5H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGXJUJKLZUDXMOU-JTQLQIEISA-N
XLogP1.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide?
The IUPAC name of 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide (CID 40635031) is 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide is CC(C)CC(=O)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O.
What is the InChIKey of 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide?
The InChIKey is GXJUJKLZUDXMOU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-6(2)5-7(18)15-10(11(12,13)14)8(19)17-3-4-20-9(17)16-10/h6H,3-5H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide?
3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide has a molecular weight of 309.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]butanamide is sourced from PubChem (CID 40635031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).