2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide

C12H15FN2O2S — CID 43609423

IUPAC2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cccc(F)c1C(N)=S)C(=O)N(C)C
InChIInChI=1S/C12H15FN2O2S/c1-7(12(16)15(2)3)17-9-6-4-5-8(13)10(9)11(14)18/h4-7H,1-3H3,(H2,14,18)
InChIKeyVGYROAKFTJJNGG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide

2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide (PubChem CID 43609423) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
PubChem CID43609423
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cccc(F)c1C(N)=S)C(=O)N(C)C
InChIInChI=1S/C12H15FN2O2S/c1-7(12(16)15(2)3)17-9-6-4-5-8(13)10(9)11(14)18/h4-7H,1-3H3,(H2,14,18)
InChIKeyVGYROAKFTJJNGG-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioyl-3-fluorophenoxy)propanamide
CID 43609505
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
2-(2,3-difluorophenoxy)propanamide
CID 63038540
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide (CID 43609423) is 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide is CC(Oc1cccc(F)c1C(N)=S)C(=O)N(C)C.
What is the InChIKey of 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is VGYROAKFTJJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-7(12(16)15(2)3)17-9-6-4-5-8(13)10(9)11(14)18/h4-7H,1-3H3,(H2,14,18).
What are the key properties of 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide?
2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 43609423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).