2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide

C15H15FN2S — CID 79513765

IUPAC2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide
SMILESCC(Nc1cccc(F)c1C(N)=S)c1ccccc1
InChIInChI=1S/C15H15FN2S/c1-10(11-6-3-2-4-7-11)18-13-9-5-8-12(16)14(13)15(17)19/h2-10,18H,1H3,(H2,17,19)
InChIKeyIXZVFKZDSYLQNQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds4

About 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide

2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide (PubChem CID 79513765) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide
PubChem CID79513765
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide
SMILESCC(Nc1cccc(F)c1C(N)=S)c1ccccc1
InChIInChI=1S/C15H15FN2S/c1-10(11-6-3-2-4-7-11)18-13-9-5-8-12(16)14(13)15(17)19/h2-10,18H,1H3,(H2,17,19)
InChIKeyIXZVFKZDSYLQNQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
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

2-fluoro-6-[1-(4-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 79516644
2-[1-(2,4-dichlorophenyl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79517110
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79519570
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
2-fluoro-6-(4-methylpentylamino)benzenecarbothioamide
CID 79519576
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
2-fluoro-6-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 79516673
N-(2-carbamothioyl-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 104519330
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 79512483

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide?
The IUPAC name of 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide (CID 79513765) is 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide?
The canonical SMILES for 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide is CC(Nc1cccc(F)c1C(N)=S)c1ccccc1.
What is the InChIKey of 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide?
The InChIKey is IXZVFKZDSYLQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10(11-6-3-2-4-7-11)18-13-9-5-8-12(16)14(13)15(17)19/h2-10,18H,1H3,(H2,17,19).
What are the key properties of 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide?
2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide has a molecular weight of 274.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide is sourced from PubChem (CID 79513765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).