1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea

C15H15FN2S — CID 53488583

IUPAC1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C15H15FN2S/c1-10-3-5-12(6-4-10)17-15(19)18-13-7-8-14(16)11(2)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyQNRXJLIKHAGTQQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.25
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea

1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea (PubChem CID 53488583) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
PubChem CID53488583
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C15H15FN2S/c1-10-3-5-12(6-4-10)17-15(19)18-13-7-8-14(16)11(2)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyQNRXJLIKHAGTQQ-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

1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53488596
methyl 4-[(4-fluoro-3-methylphenyl)carbamothioylamino]benzoate
CID 53365035
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(4-fluoro-3-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488597
1-(2-chloro-5-fluorophenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365051
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
1-(2,4-dibromo-6-fluorophenyl)-3-(4-methylphenyl)thiourea
CID 19679788
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea (CID 53488583) is 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea?
The InChIKey is QNRXJLIKHAGTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10-3-5-12(6-4-10)17-15(19)18-13-7-8-14(16)11(2)9-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea?
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)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-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 53488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).