1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea

C17H20N2O4S — CID 800539

IUPAC1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
SMILESCOc1ccc(OC)c(NC(=S)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H20N2O4S/c1-20-11-6-8-15(22-3)14(9-11)19-17(24)18-13-7-5-12(21-2)10-16(13)23-4/h5-10H,1-4H3,(H2,18,19,24)
InChIKeyYZGLHROMBZAMTL-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea

1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea (PubChem CID 800539) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
PubChem CID800539
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
SMILESCOc1ccc(OC)c(NC(=S)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H20N2O4S/c1-20-11-6-8-15(22-3)14(9-11)19-17(24)18-13-7-5-12(21-2)10-16(13)23-4/h5-10H,1-4H3,(H2,18,19,24)
InChIKeyYZGLHROMBZAMTL-UHFFFAOYSA-N
XLogP3.53
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)-3-pyridin-4-ylthiourea
CID 19655598
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 53489315
1-(2,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 19648706
1-(cyclopropylmethyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 3840161
methyl N-[(2,5-dimethoxyphenyl)carbamothioylamino]carbamate
CID 970721
1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680314
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651831
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
CID 23737762
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea (CID 800539) is 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea is COc1ccc(OC)c(NC(=S)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea?
The InChIKey is YZGLHROMBZAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-20-11-6-8-15(22-3)14(9-11)19-17(24)18-13-7-5-12(21-2)10-16(13)23-4/h5-10H,1-4H3,(H2,18,19,24).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea?
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea has a molecular weight of 348.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea is sourced from PubChem (CID 800539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).