1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea

C15H15FN2S — CID 681237

IUPAC1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2S/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyKZUAQZIIUQLBIK-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.25
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea

1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea (PubChem CID 681237) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
PubChem CID681237
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2S/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyKZUAQZIIUQLBIK-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53489169
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
1-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 3624960
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)thiourea
CID 53489310
1-(3-fluoro-4-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 53489176
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenyl)propyl]thiourea
CID 100673518
1-(3,4-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 4225597
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028
1-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687302
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488762

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea (CID 681237) is 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea is Cc1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea?
The InChIKey is KZUAQZIIUQLBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea?
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea has a molecular weight of 274.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea is sourced from PubChem (CID 681237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).