[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone

C16H15F3N2O3S — CID 161056523

IUPAC[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)10-3-1-2-4-11(10)20-14-13(12(22)9-25-14)15(23)21-5-7-24-8-6-21/h1-4,22H,5-9H2/b20-14-
InChIKeyQXILAWMAKTYFKX-ZHZULCJRSA-N
MW372.37 g/mol
LogP3.15
Rot. Bonds2

About [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone

[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone (PubChem CID 161056523) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
PubChem CID161056523
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)10-3-1-2-4-11(10)20-14-13(12(22)9-25-14)15(23)21-5-7-24-8-6-21/h1-4,22H,5-9H2/b20-14-
InChIKeyQXILAWMAKTYFKX-ZHZULCJRSA-N
XLogP3.15
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158002779
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
CID 158152152
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158591151
3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 159190105
2-azabicyclo[2.2.2]octan-2-yl-[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]methanone
CID 160325664
N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 160924154
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-pyrrolidin-1-ylmethanone
CID 162198807

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone (CID 161056523) is [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone is O=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QXILAWMAKTYFKX-ZHZULCJRSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)10-3-1-2-4-11(10)20-14-13(12(22)9-25-14)15(23)21-5-7-24-8-6-21/h1-4,22H,5-9H2/b20-14-.
What are the key properties of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone?
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone has a molecular weight of 372.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161056523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).