ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide

C12H17FN2OS — CID 143768641

IUPACethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
SMILESCC.CNC(=S)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H11FN2OS.C2H6/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7;1-2/h2-5H,6H2,1H3,(H2,12,13,14,15);1-2H3
InChIKeyDXVBMVBJRBKBFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds2

About ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide

ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide (PubChem CID 143768641) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide.

Molecular Properties

Compound Nameethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
PubChem CID143768641
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Nameethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
SMILESCC.CNC(=S)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H11FN2OS.C2H6/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7;1-2/h2-5H,6H2,1H3,(H2,12,13,14,15);1-2H3
InChIKeyDXVBMVBJRBKBFY-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
1-(2,3-dimethylphenyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 35780197
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide?
The IUPAC name of ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide (CID 143768641) is ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide.
What is the SMILES notation for ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide?
The canonical SMILES for ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide is CC.CNC(=S)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide?
The InChIKey is DXVBMVBJRBKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS.C2H6/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7;1-2/h2-5H,6H2,1H3,(H2,12,13,14,15);1-2H3.
What are the key properties of ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide?
ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide is sourced from PubChem (CID 143768641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).