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

C16H16Cl2N2O3S — CID 19629930

IUPAC1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H16Cl2N2O3S/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)
InChIKeyDOQNGWUECCBOHP-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.83
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (PubChem CID 19629930) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
PubChem CID19629930
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H16Cl2N2O3S/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)
InChIKeyDOQNGWUECCBOHP-UHFFFAOYSA-N
XLogP4.83
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678005
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
CID 19676032
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 17300163
3-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-4-methoxybenzamide
CID 2281585
5-chloro-N-[(3,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1121132
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (CID 19629930) is 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is COc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The InChIKey is DOQNGWUECCBOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/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-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea has a molecular weight of 387.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is sourced from PubChem (CID 19629930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).