1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one

C20H20FN3O2S — CID 2427999

IUPAC1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2ccco2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2S/c21-15-6-8-16(9-7-15)22-20-24(12-3-11-23-10-1-5-19(23)25)17(14-27-20)18-4-2-13-26-18/h2,4,6-9,13-14H,1,3,5,10-12H2/b22-20-
InChIKeyMRQAAKHXHBXEFT-XDOYNYLZSA-N
MW385.46 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one

1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (PubChem CID 2427999) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
PubChem CID2427999
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2ccco2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2S/c21-15-6-8-16(9-7-15)22-20-24(12-3-11-23-10-1-5-19(23)25)17(14-27-20)18-4-2-13-26-18/h2,4,6-9,13-14H,1,3,5,10-12H2/b22-20-
InChIKeyMRQAAKHXHBXEFT-XDOYNYLZSA-N
XLogP4.19
TPSA50.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (CID 2427999) is 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1c(-c2ccco2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The InChIKey is MRQAAKHXHBXEFT-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-15-6-8-16(9-7-15)22-20-24(12-3-11-23-10-1-5-19(23)25)17(14-27-20)18-4-2-13-26-18/h2,4,6-9,13-14H,1,3,5,10-12H2/b22-20-.
What are the key properties of 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 2427999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).