1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea

C15H15FN2OS — CID 112839665

IUPAC1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZZMFFUCDGUIBOT-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.50
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea

1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 112839665) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID112839665
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZZMFFUCDGUIBOT-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(4-fluoro-3-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488597
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea (CID 112839665) is 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is ZZMFFUCDGUIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 290.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 112839665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).