2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide

C10H12FN3OS — CID 63672665

IUPAC2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
SMILESCN(CC(N)=O)c1ccc(F)cc1C(N)=S
InChIInChI=1S/C10H12FN3OS/c1-14(5-9(12)15)8-3-2-6(11)4-7(8)10(13)16/h2-4H,5H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyBFSOJTLTRIPVGI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.38
Rot. Bonds4

About 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide

2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide (PubChem CID 63672665) has the molecular formula C10H12FN3OS and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
PubChem CID63672665
Molecular FormulaC10H12FN3OS
Molecular Weight241.29 g/mol
Exact Mass241.07
IUPAC Name2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
SMILESCN(CC(N)=O)c1ccc(F)cc1C(N)=S
InChIInChI=1S/C10H12FN3OS/c1-14(5-9(12)15)8-3-2-6(11)4-7(8)10(13)16/h2-4H,5H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyBFSOJTLTRIPVGI-UHFFFAOYSA-N
XLogP0.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide 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-4-fluoro-N-propan-2-ylanilino)acetamide
CID 63674904
methyl 3-(2-carbamothioyl-4-fluoro-N-methylanilino)propanoate
CID 63672514
5-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63673025
5-fluoro-2-[furan-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 63673360
methyl 2-(2-carbamothioyl-N-ethyl-4-fluoroanilino)acetate
CID 55233299
2-[(2-amino-2-oxoethyl)-methylamino]benzamide
CID 68633336
ethyl 2-(2-carbamothioyl-N-cyclopropyl-4-fluoroanilino)acetate
CID 63672880
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
CID 114288187
5-fluoro-2-(4-hydroxy-N-methylanilino)benzenecarbothioamide
CID 107735399
N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide
CID 63049825
2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide
CID 107928670
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide?
The IUPAC name of 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide (CID 63672665) is 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide.
What is the SMILES notation for 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide?
The canonical SMILES for 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide is CN(CC(N)=O)c1ccc(F)cc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide?
The InChIKey is BFSOJTLTRIPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3OS/c1-14(5-9(12)15)8-3-2-6(11)4-7(8)10(13)16/h2-4H,5H2,1H3,(H2,12,15)(H2,13,16).
What are the key properties of 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide?
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide has a molecular weight of 241.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide is sourced from PubChem (CID 63672665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).