1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C8H5F3N2OS — CID 115333103

IUPAC1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)(F)F
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2
InChIKeySNVVBOKLYZCBPH-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.07
Rot. Bonds2

About 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 115333103) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID115333103
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)(F)F
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2
InChIKeySNVVBOKLYZCBPH-UHFFFAOYSA-N
XLogP2.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 115333103) is 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is O=C(Cc1cn2ccsc2n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is SNVVBOKLYZCBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2.
What are the key properties of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 234.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 115333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).