N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide

C17H13FN2O3S — CID 5292308

IUPACN-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3F)o2)S1
InChIInChI=1S/C17H13FN2O3S/c1-2-15(21)19-17-20-16(22)14(24-17)9-10-7-8-13(23-10)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,20,21,22)/b14-9+
InChIKeyCZGSUYCJYZTZPH-NTEUORMPSA-N
MW344.37 g/mol
LogP3.58
Rot. Bonds3

About N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide

N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide (PubChem CID 5292308) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
PubChem CID5292308
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3F)o2)S1
InChIInChI=1S/C17H13FN2O3S/c1-2-15(21)19-17-20-16(22)14(24-17)9-10-7-8-13(23-10)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,20,21,22)/b14-9+
InChIKeyCZGSUYCJYZTZPH-NTEUORMPSA-N
XLogP3.58
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide (CID 5292308) is N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide is CCC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3F)o2)S1.
What is the InChIKey of N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide?
The InChIKey is CZGSUYCJYZTZPH-NTEUORMPSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-2-15(21)19-17-20-16(22)14(24-17)9-10-7-8-13(23-10)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,20,21,22)/b14-9+.
What are the key properties of N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide?
N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 5292308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).