1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea

C17H18F2N2O2S — CID 2957474

IUPAC1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O2S/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(24)21-14-6-5-12(18)9-13(14)19/h4-10H,1-3H3,(H2,20,21,24)
InChIKeyLDJFIEQNJYZYKT-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.03
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea

1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea (PubChem CID 2957474) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
PubChem CID2957474
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O2S/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(24)21-14-6-5-12(18)9-13(14)19/h4-10H,1-3H3,(H2,20,21,24)
InChIKeyLDJFIEQNJYZYKT-UHFFFAOYSA-N
XLogP4.03
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]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-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512962
1-(2,4-difluorophenyl)-3-[1-(3-methoxyphenyl)ethyl]thiourea
CID 17283761
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
1-(4-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 19675632
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
1-(4-bromo-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643161
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
1-(2-ethylphenyl)-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]thiourea
CID 8562629
1-(3,4-dimethoxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 978145
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 100743053
1-(3,4-dimethoxyphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675491
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678005

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea (CID 2957474) is 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea is COc1ccc(C(C)NC(=S)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea?
The InChIKey is LDJFIEQNJYZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(24)21-14-6-5-12(18)9-13(14)19/h4-10H,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea?
1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea has a molecular weight of 352.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 2957474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).