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

C15H14F2N2S — CID 53364863

IUPAC1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1ccc(F)c(NC(=S)Nc2cccc(F)c2C)c1
InChIInChI=1S/C15H14F2N2S/c1-9-6-7-12(17)14(8-9)19-15(20)18-13-5-3-4-11(16)10(13)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJKDMVKLUKPSTFY-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.39
Rot. Bonds2

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

1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea (PubChem CID 53364863) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
PubChem CID53364863
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1ccc(F)c(NC(=S)Nc2cccc(F)c2C)c1
InChIInChI=1S/C15H14F2N2S/c1-9-6-7-12(17)14(8-9)19-15(20)18-13-5-3-4-11(16)10(13)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJKDMVKLUKPSTFY-UHFFFAOYSA-N
XLogP4.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.39
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-chloro-2-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924089
1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364912
1-(3-chlorophenyl)-3-(2-fluoro-5-methylphenyl)thiourea
CID 19687203
1-(3-fluoro-2-methylphenyl)-3-(4-fluorophenyl)thiourea
CID 53488526
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-(2-fluoro-5-methylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19687237
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-(3-fluoro-2-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53364887
1-[4-(dimethylamino)phenyl]-3-(3-fluoro-2-methylphenyl)thiourea
CID 53488520
1-(2-fluoro-5-methylphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53364840

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea (CID 53364863) is 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea is Cc1ccc(F)c(NC(=S)Nc2cccc(F)c2C)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The InChIKey is JKDMVKLUKPSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2S/c1-9-6-7-12(17)14(8-9)19-15(20)18-13-5-3-4-11(16)10(13)2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea has a molecular weight of 292.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea is sourced from PubChem (CID 53364863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).