1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea

C16H15F3N2O3S — CID 19680314

IUPAC1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H15F3N2O3S/c1-22-12-7-8-13(14(9-12)23-2)21-15(25)20-10-3-5-11(6-4-10)24-16(17,18)19/h3-9H,1-2H3,(H2,20,21,25)
InChIKeyDCOWWPILBCWYRP-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.41
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea

1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (PubChem CID 19680314) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
PubChem CID19680314
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H15F3N2O3S/c1-22-12-7-8-13(14(9-12)23-2)21-15(25)20-10-3-5-11(6-4-10)24-16(17,18)19/h3-9H,1-2H3,(H2,20,21,25)
InChIKeyDCOWWPILBCWYRP-UHFFFAOYSA-N
XLogP4.41
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
1-(4-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53488982
1-(2-chloro-4-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53489249
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 2212546
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
CID 23737762
1-(2-chloro-4-fluorophenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53489241
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
1-(5-chloro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680312
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
1-(2,4-dimethoxyphenyl)-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea
CID 19678231

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (CID 19680314) is 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The InChIKey is DCOWWPILBCWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-22-12-7-8-13(14(9-12)23-2)21-15(25)20-10-3-5-11(6-4-10)24-16(17,18)19/h3-9H,1-2H3,(H2,20,21,25).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea has a molecular weight of 372.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is sourced from PubChem (CID 19680314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).