2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one

C19H15FN4OS — CID 56661919

IUPAC2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
InChIKeyVCKGJRZFNMIOEB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one

2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (PubChem CID 56661919) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
PubChem CID56661919
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
InChIKeyVCKGJRZFNMIOEB-UHFFFAOYSA-N
XLogP2.98
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (CID 56661919) is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is CN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The InChIKey is VCKGJRZFNMIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23).
What are the key properties of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one has a molecular weight of 366.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is sourced from PubChem (CID 56661919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).