N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

C12H12FN3O3S — CID 16782886

IUPACN-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESNc1cc(NC(=O)CCN2C(=O)CSC2=O)ccc1F
InChIInChI=1S/C12H12FN3O3S/c13-8-2-1-7(5-9(8)14)15-10(17)3-4-16-11(18)6-20-12(16)19/h1-2,5H,3-4,6,14H2,(H,15,17)
InChIKeyHWJPMLPGXZTROC-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.43
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 16782886) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID16782886
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESNc1cc(NC(=O)CCN2C(=O)CSC2=O)ccc1F
InChIInChI=1S/C12H12FN3O3S/c13-8-2-1-7(5-9(8)14)15-10(17)3-4-16-11(18)6-20-12(16)19/h1-2,5H,3-4,6,14H2,(H,15,17)
InChIKeyHWJPMLPGXZTROC-UHFFFAOYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (CID 16782886) is N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is Nc1cc(NC(=O)CCN2C(=O)CSC2=O)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is HWJPMLPGXZTROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-8-2-1-7(5-9(8)14)15-10(17)3-4-16-11(18)6-20-12(16)19/h1-2,5H,3-4,6,14H2,(H,15,17).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 297.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 16782886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).