1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea

C20H23N3O2S — CID 17272233

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
SMILESCOc1ccc(OC)c(NC(=S)NCCc2c[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-6-17-16(10-13)14(12-22-17)8-9-21-20(26)23-18-11-15(24-2)5-7-19(18)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H2,21,23,26)
InChIKeyRIUBLUKIBIFQAM-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.02
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea

1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea (PubChem CID 17272233) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
PubChem CID17272233
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
SMILESCOc1ccc(OC)c(NC(=S)NCCc2c[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-6-17-16(10-13)14(12-22-17)8-9-21-20(26)23-18-11-15(24-2)5-7-19(18)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H2,21,23,26)
InChIKeyRIUBLUKIBIFQAM-UHFFFAOYSA-N
XLogP4.02
TPSA58.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649928
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea
CID 17272253
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxy-5-methylphenyl)thiourea
CID 7136958
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea (CID 17272233) is 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea is COc1ccc(OC)c(NC(=S)NCCc2c[nH]c3ccc(C)cc23)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea?
The InChIKey is RIUBLUKIBIFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-4-6-17-16(10-13)14(12-22-17)8-9-21-20(26)23-18-11-15(24-2)5-7-19(18)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H2,21,23,26).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea?
1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea has a molecular weight of 369.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 17272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).