2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide

C15H14FNOS — CID 63674918

IUPAC2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
SMILESCc1ccc(C)c(Oc2ccc(F)cc2C(N)=S)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-4-10(2)14(7-9)18-13-6-5-11(16)8-12(13)15(17)19/h3-8H,1-2H3,(H2,17,19)
InChIKeyIQSRWCGJTXIFTB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.87
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide

2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide (PubChem CID 63674918) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
PubChem CID63674918
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
SMILESCc1ccc(C)c(Oc2ccc(F)cc2C(N)=S)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-4-10(2)14(7-9)18-13-6-5-11(16)8-12(13)15(17)19/h3-8H,1-2H3,(H2,17,19)
InChIKeyIQSRWCGJTXIFTB-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide 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

5-bromo-2-(5-fluoro-2-methylphenoxy)benzenecarbothioamide
CID 102981778
5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
3-(5-fluoro-2-methylphenoxy)pyridine-2-carbothioamide
CID 102981785
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
CID 107929491
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176
N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
CID 63673578
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide (CID 63674918) is 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide is Cc1ccc(C)c(Oc2ccc(F)cc2C(N)=S)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide?
The InChIKey is IQSRWCGJTXIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-9-3-4-10(2)14(7-9)18-13-6-5-11(16)8-12(13)15(17)19/h3-8H,1-2H3,(H2,17,19).
What are the key properties of 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide?
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide has a molecular weight of 275.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide is sourced from PubChem (CID 63674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).