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

C20H20FN3OS2 — CID 2418953

IUPAC1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2cccs2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C20H20FN3OS2/c21-15-6-1-2-7-16(15)22-20-24(12-5-11-23-10-3-9-19(23)25)17(14-27-20)18-8-4-13-26-18/h1-2,4,6-8,13-14H,3,5,9-12H2/b22-20-
InChIKeyRZOAQGVGLYJGAP-XDOYNYLZSA-N
MW401.53 g/mol
LogP4.66
Rot. Bonds6

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

1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (PubChem CID 2418953) has the molecular formula C20H20FN3OS2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
PubChem CID2418953
Molecular FormulaC20H20FN3OS2
Molecular Weight401.53 g/mol
Exact Mass401.10
IUPAC Name1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2cccs2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C20H20FN3OS2/c21-15-6-1-2-7-16(15)22-20-24(12-5-11-23-10-3-9-19(23)25)17(14-27-20)18-8-4-13-26-18/h1-2,4,6-8,13-14H,3,5,9-12H2/b22-20-
InChIKeyRZOAQGVGLYJGAP-XDOYNYLZSA-N
XLogP4.66
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (CID 2418953) is 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1c(-c2cccs2)cs/c1=N\c1ccccc1F.
What is the InChIKey of 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The InChIKey is RZOAQGVGLYJGAP-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H20FN3OS2/c21-15-6-1-2-7-16(15)22-20-24(12-5-11-23-10-3-9-19(23)25)17(14-27-20)18-8-4-13-26-18/h1-2,4,6-8,13-14H,3,5,9-12H2/b22-20-.
What are the key properties of 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one has a molecular weight of 401.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 2418953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).