2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide

C15H14FNO3S — CID 63675108

IUPAC2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
SMILESCOc1cc(OC)cc(Oc2ccc(F)cc2C(N)=S)c1
InChIInChI=1S/C15H14FNO3S/c1-18-10-6-11(19-2)8-12(7-10)20-14-4-3-9(16)5-13(14)15(17)21/h3-8H,1-2H3,(H2,17,21)
InChIKeyWWNBJBFSCUVZRM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide

2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide (PubChem CID 63675108) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
PubChem CID63675108
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
SMILESCOc1cc(OC)cc(Oc2ccc(F)cc2C(N)=S)c1
InChIInChI=1S/C15H14FNO3S/c1-18-10-6-11(19-2)8-12(7-10)20-14-4-3-9(16)5-13(14)15(17)21/h3-8H,1-2H3,(H2,17,21)
InChIKeyWWNBJBFSCUVZRM-UHFFFAOYSA-N
XLogP3.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113
5-bromo-2-(3-fluorophenoxy)benzenecarbothioamide
CID 114892209
4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
CID 81277855
2-chloro-6-(3,5-dimethoxyphenoxy)benzenecarbothioamide
CID 62497559
N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
CID 63673578
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide (CID 63675108) is 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide is COc1cc(OC)cc(Oc2ccc(F)cc2C(N)=S)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide?
The InChIKey is WWNBJBFSCUVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-18-10-6-11(19-2)8-12(7-10)20-14-4-3-9(16)5-13(14)15(17)21/h3-8H,1-2H3,(H2,17,21).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide?
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide has a molecular weight of 307.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide is sourced from PubChem (CID 63675108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).