1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea

C16H16F2N2O3S — CID 19678005

IUPAC1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O3S/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(24)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,24)
InChIKeyHHIHYAYUROSLBF-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea

1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (PubChem CID 19678005) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
PubChem CID19678005
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O3S/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(24)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,24)
InChIKeyHHIHYAYUROSLBF-UHFFFAOYSA-N
XLogP3.80
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)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-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19629930
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
1-(2,4-difluorophenyl)-3-methylthiourea
CID 2729992
1-(4-bromophenyl)-3-(2,4-difluorophenyl)thiourea
CID 683119
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818
1-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687302
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 2957474
1-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
1-(5-chloro-2-methoxyphenyl)-3-[(2,4-difluorophenyl)carbamothioylamino]urea
CID 17378277

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (CID 19678005) is 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is COc1cc(NC(=S)Nc2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The InChIKey is HHIHYAYUROSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(24)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea has a molecular weight of 354.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is sourced from PubChem (CID 19678005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).