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

C20H17FN2OS — CID 53488596

IUPAC1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1F
InChIInChI=1S/C20H17FN2OS/c1-14-13-16(9-12-19(14)21)23-20(25)22-15-7-10-18(11-8-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H2,22,23,25)
InChIKeyWZRASUYEJJUVPE-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.74
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea (PubChem CID 53488596) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
PubChem CID53488596
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1F
InChIInChI=1S/C20H17FN2OS/c1-14-13-16(9-12-19(14)21)23-20(25)22-15-7-10-18(11-8-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H2,22,23,25)
InChIKeyWZRASUYEJJUVPE-UHFFFAOYSA-N
XLogP5.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylphenyl)thiourea
CID 53488583
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
methyl 4-[(4-fluoro-3-methylphenyl)carbamothioylamino]benzoate
CID 53365035
1-(3-bromophenyl)-3-(4-phenoxyphenyl)thiourea
CID 7342651
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
1-(4-fluoro-3-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488597
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea (CID 53488596) is 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea is Cc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea?
The InChIKey is WZRASUYEJJUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-14-13-16(9-12-19(14)21)23-20(25)22-15-7-10-18(11-8-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H2,22,23,25).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea?
1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea has a molecular weight of 352.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea is sourced from PubChem (CID 53488596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).