4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one

C10H6F6N2OS — CID 103311548

IUPAC4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6N2OS/c11-9(12,13)7(10(14,15)16)6(19)3-5-4-18-1-2-20-8(18)17-5/h1-2,4,7H,3H2
InChIKeySPBDKKWZNJMWKL-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.25
Rot. Bonds3

About 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one

4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one (PubChem CID 103311548) has the molecular formula C10H6F6N2OS and a molecular weight of 316.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one
PubChem CID103311548
Molecular FormulaC10H6F6N2OS
Molecular Weight316.23 g/mol
Exact Mass316.01
IUPAC Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6N2OS/c11-9(12,13)7(10(14,15)16)6(19)3-5-4-18-1-2-20-8(18)17-5/h1-2,4,7H,3H2
InChIKeySPBDKKWZNJMWKL-UHFFFAOYSA-N
XLogP3.25
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one?
The IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one (CID 103311548) is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one.
What is the SMILES notation for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one?
The canonical SMILES for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one is O=C(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one?
The InChIKey is SPBDKKWZNJMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2OS/c11-9(12,13)7(10(14,15)16)6(19)3-5-4-18-1-2-20-8(18)17-5/h1-2,4,7H,3H2.
What are the key properties of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one?
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one has a molecular weight of 316.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-one is sourced from PubChem (CID 103311548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).