1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea

C19H24N2OS — CID 19675005

IUPAC1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2OS/c1-5-22-18-10-8-17(9-11-18)21-19(23)20-15(4)16-7-6-13(2)14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,20,21,23)
InChIKeyYIFGRMYEHQFCLA-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.75
Rot. Bonds5

About 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea

1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 19675005) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID19675005
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2OS/c1-5-22-18-10-8-17(9-11-18)21-19(23)20-15(4)16-7-6-13(2)14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,20,21,23)
InChIKeyYIFGRMYEHQFCLA-UHFFFAOYSA-N
XLogP4.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 133216429
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 133216947
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100730197
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 133216431
1-(3,4-dimethoxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 978145
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
1-[4-(cyanomethyl)phenyl]-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100729537
1-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 7470266
1-[1-(4-ethoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 2954250
1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655920
1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethoxyphenyl)ethyl]thiourea
CID 17268941

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea (CID 19675005) is 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is YIFGRMYEHQFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-22-18-10-8-17(9-11-18)21-19(23)20-15(4)16-7-6-13(2)14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 328.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 19675005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).