5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one

C10H9F3N2OS — CID 115333203

IUPAC5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cn2ccsc2n1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)2-1-8(16)5-7-6-15-3-4-17-9(15)14-7/h3-4,6H,1-2,5H2
InChIKeyABQBMOZFIPUBRT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.85
Rot. Bonds4

About 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one

5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one (PubChem CID 115333203) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
PubChem CID115333203
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cn2ccsc2n1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)2-1-8(16)5-7-6-15-3-4-17-9(15)14-7/h3-4,6H,1-2,5H2
InChIKeyABQBMOZFIPUBRT-UHFFFAOYSA-N
XLogP2.85
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one (CID 115333203) is 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one is O=C(CCC(F)(F)F)Cc1cn2ccsc2n1.
What is the InChIKey of 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The InChIKey is ABQBMOZFIPUBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c11-10(12,13)2-1-8(16)5-7-6-15-3-4-17-9(15)14-7/h3-4,6H,1-2,5H2.
What are the key properties of 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one has a molecular weight of 262.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one is sourced from PubChem (CID 115333203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).