1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea

C19H21N3O2S — CID 1493306

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C19H21N3O2S/c1-23-14-7-8-17(18(11-14)24-2)22-19(25)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,25)
InChIKeyYWCLFXFOTSJCCW-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.71
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea

1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (PubChem CID 1493306) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
PubChem CID1493306
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C19H21N3O2S/c1-23-14-7-8-17(18(11-14)24-2)22-19(25)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,25)
InChIKeyYWCLFXFOTSJCCW-UHFFFAOYSA-N
XLogP3.71
TPSA58.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (CID 1493306) is 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The InChIKey is YWCLFXFOTSJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-23-14-7-8-17(18(11-14)24-2)22-19(25)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea has a molecular weight of 355.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 1493306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).