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

C11H11F3N2O2S — CID 103146878

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
SMILESO=C(CCOCC(F)(F)F)Cc1cn2ccsc2n1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-18-3-1-9(17)5-8-6-16-2-4-19-10(16)15-8/h2,4,6H,1,3,5,7H2
InChIKeyUYRVTVQVPIGDCD-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.48
Rot. Bonds6

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

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one (PubChem CID 103146878) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
PubChem CID103146878
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
SMILESO=C(CCOCC(F)(F)F)Cc1cn2ccsc2n1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-18-3-1-9(17)5-8-6-16-2-4-19-10(16)15-8/h2,4,6H,1,3,5,7H2
InChIKeyUYRVTVQVPIGDCD-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588755
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116591105
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
3-amino-4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116593154
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915385
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
CID 105123036
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 51115677
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one (CID 103146878) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one is O=C(CCOCC(F)(F)F)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The InChIKey is UYRVTVQVPIGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)7-18-3-1-9(17)5-8-6-16-2-4-19-10(16)15-8/h2,4,6H,1,3,5,7H2.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one?
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one has a molecular weight of 292.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one is sourced from PubChem (CID 103146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).