[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate

C15H12FNO2S — CID 6390063

IUPAC[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESC/C(=N/OC(=O)/C=C/c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H12FNO2S/c1-11(14-3-2-10-20-14)17-19-15(18)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3/b9-6+,17-11-
InChIKeyAHJFIACOUUTTTQ-GIBFOZDASA-N
MW289.33 g/mol
LogP3.87
Rot. Bonds4

About [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate

[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 6390063) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID6390063
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESC/C(=N/OC(=O)/C=C/c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H12FNO2S/c1-11(14-3-2-10-20-14)17-19-15(18)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3/b9-6+,17-11-
InChIKeyAHJFIACOUUTTTQ-GIBFOZDASA-N
XLogP3.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate (CID 6390063) is [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate is C/C(=N/OC(=O)/C=C/c1ccc(F)cc1)c1cccs1.
What is the InChIKey of [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is AHJFIACOUUTTTQ-GIBFOZDASA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-11(14-3-2-10-20-14)17-19-15(18)9-6-12-4-7-13(16)8-5-12/h2-10H,1H3/b9-6+,17-11-.
What are the key properties of [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate?
[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 289.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 6390063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).