[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C17H14F3N3O3S — CID 8818058

IUPAC[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S/c1-10(15(25)21-12-4-2-3-11(7-12)17(18,19)20)26-14(24)8-13-9-23-5-6-27-16(23)22-13/h2-7,9-10H,8H2,1H3,(H,21,25)/t10-/m0/s1
InChIKeyJYYHJTCFBUZAFC-JTQLQIEISA-N
MW397.38 g/mol
LogP3.53
Rot. Bonds5

About [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8818058) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8818058
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S/c1-10(15(25)21-12-4-2-3-11(7-12)17(18,19)20)26-14(24)8-13-9-23-5-6-27-16(23)22-13/h2-7,9-10H,8H2,1H3,(H,21,25)/t10-/m0/s1
InChIKeyJYYHJTCFBUZAFC-JTQLQIEISA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8818058) is [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is C[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is JYYHJTCFBUZAFC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-10(15(25)21-12-4-2-3-11(7-12)17(18,19)20)26-14(24)8-13-9-23-5-6-27-16(23)22-13/h2-7,9-10H,8H2,1H3,(H,21,25)/t10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 397.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8818058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).