1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea

C14H12F2N2S — CID 19687280

IUPAC1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
SMILESCc1ccc(F)cc1NC(=S)Nc1ccccc1F
InChIInChI=1S/C14H12F2N2S/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyQZHSUMQVYMFLCC-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.08
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea

1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea (PubChem CID 19687280) has the molecular formula C14H12F2N2S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
PubChem CID19687280
Molecular FormulaC14H12F2N2S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
SMILESCc1ccc(F)cc1NC(=S)Nc1ccccc1F
InChIInChI=1S/C14H12F2N2S/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyQZHSUMQVYMFLCC-UHFFFAOYSA-N
XLogP4.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.08
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-fluoro-4-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 53489176
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
1-(4-chloro-2-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 46924150
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53489169
1-(2,5-difluorophenyl)-3-phenylthiourea
CID 17263148
1-(3,4-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 4225597
1-(2,5-difluorophenyl)-3-methylthiourea
CID 8668955
1-(4-bromo-2-chlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687313
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
1-(5-fluoro-2-methylphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53365215
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)thiourea
CID 53489310
1-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687302

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea (CID 19687280) is 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea is Cc1ccc(F)cc1NC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea?
The InChIKey is QZHSUMQVYMFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2S/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea?
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea has a molecular weight of 278.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 19687280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).