[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C16H12F3N3O3S — CID 8817858

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)10-1-3-11(4-2-10)20-13(23)9-25-14(24)7-12-8-22-5-6-26-15(22)21-12/h1-6,8H,7,9H2,(H,20,23)
InChIKeyJRBUHCWRQSKLFC-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.14
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8817858) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8817858
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)10-1-3-11(4-2-10)20-13(23)9-25-14(24)7-12-8-22-5-6-26-15(22)21-12/h1-6,8H,7,9H2,(H,20,23)
InChIKeyJRBUHCWRQSKLFC-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8817858) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is JRBUHCWRQSKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)10-1-3-11(4-2-10)20-13(23)9-25-14(24)7-12-8-22-5-6-26-15(22)21-12/h1-6,8H,7,9H2,(H,20,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 383.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8817858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).