5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide

C12H17FN2O2S — CID 63672707

IUPAC5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
SMILESCOCCOCCNc1ccc(F)cc1C(N)=S
InChIInChI=1S/C12H17FN2O2S/c1-16-6-7-17-5-4-15-11-3-2-9(13)8-10(11)12(14)18/h2-3,8,15H,4-7H2,1H3,(H2,14,18)
InChIKeyXBKYUANWELKBJD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.53
Rot. Bonds8

About 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide

5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide (PubChem CID 63672707) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
PubChem CID63672707
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
SMILESCOCCOCCNc1ccc(F)cc1C(N)=S
InChIInChI=1S/C12H17FN2O2S/c1-16-6-7-17-5-4-15-11-3-2-9(13)8-10(11)12(14)18/h2-3,8,15H,4-7H2,1H3,(H2,14,18)
InChIKeyXBKYUANWELKBJD-UHFFFAOYSA-N
XLogP1.53
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioyl-4-fluoroanilino)ethyl carbamate
CID 83205178
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
2,3-difluoro-4-[4-(2-methoxyethoxy)butylamino]benzenecarbothioamide
CID 107935247
2-[2-(dimethylamino)ethylamino]-5-fluorobenzenecarbothioamide
CID 63673179
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
2-[3-(dimethylamino)propylamino]-5-fluorobenzenecarbothioamide
CID 55234302
5-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzenecarbothioamide
CID 106339147
5-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 55260697
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
2-(tert-butylamino)-5-fluorobenzenecarbothioamide
CID 63672652
4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409573

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide (CID 63672707) is 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide is COCCOCCNc1ccc(F)cc1C(N)=S.
What is the InChIKey of 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The InChIKey is XBKYUANWELKBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-16-6-7-17-5-4-15-11-3-2-9(13)8-10(11)12(14)18/h2-3,8,15H,4-7H2,1H3,(H2,14,18).
What are the key properties of 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide has a molecular weight of 272.34 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide is sourced from PubChem (CID 63672707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).