2-(2-carbamothioyl-3-fluorophenoxy)propanamide

C10H11FN2O2S — CID 43609505

IUPAC2-(2-carbamothioyl-3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1C(N)=S)C(N)=O
InChIInChI=1S/C10H11FN2O2S/c1-5(9(12)14)15-7-4-2-3-6(11)8(7)10(13)16/h2-5H,1H3,(H2,12,14)(H2,13,16)
InChIKeyDYFKHJLQLKLNTC-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.71
Rot. Bonds4

About 2-(2-carbamothioyl-3-fluorophenoxy)propanamide

2-(2-carbamothioyl-3-fluorophenoxy)propanamide (PubChem CID 43609505) has the molecular formula C10H11FN2O2S and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-carbamothioyl-3-fluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-3-fluorophenoxy)propanamide
PubChem CID43609505
Molecular FormulaC10H11FN2O2S
Molecular Weight242.28 g/mol
Exact Mass242.05
IUPAC Name2-(2-carbamothioyl-3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1C(N)=S)C(N)=O
InChIInChI=1S/C10H11FN2O2S/c1-5(9(12)14)15-7-4-2-3-6(11)8(7)10(13)16/h2-5H,1H3,(H2,12,14)(H2,13,16)
InChIKeyDYFKHJLQLKLNTC-UHFFFAOYSA-N
XLogP0.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-carbamothioyl-3-fluorophenoxy)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
CID 43609423
2-(2,3-difluorophenoxy)propanamide
CID 63038540
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
2-(2,5-difluorophenoxy)propanamide
CID 63269491
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-fluoro-6-(2-methylsulfonylethoxy)benzenecarbothioamide
CID 54937287

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-3-fluorophenoxy)propanamide?
The IUPAC name of 2-(2-carbamothioyl-3-fluorophenoxy)propanamide (CID 43609505) is 2-(2-carbamothioyl-3-fluorophenoxy)propanamide.
What is the SMILES notation for 2-(2-carbamothioyl-3-fluorophenoxy)propanamide?
The canonical SMILES for 2-(2-carbamothioyl-3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1C(N)=S)C(N)=O.
What is the InChIKey of 2-(2-carbamothioyl-3-fluorophenoxy)propanamide?
The InChIKey is DYFKHJLQLKLNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-5(9(12)14)15-7-4-2-3-6(11)8(7)10(13)16/h2-5H,1H3,(H2,12,14)(H2,13,16).
What are the key properties of 2-(2-carbamothioyl-3-fluorophenoxy)propanamide?
2-(2-carbamothioyl-3-fluorophenoxy)propanamide has a molecular weight of 242.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-3-fluorophenoxy)propanamide is sourced from PubChem (CID 43609505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).