1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea

C19H24N2OS — CID 17264833

IUPAC1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-5-22-16-11-9-15(10-12-16)20-19(23)21-18-14(4)7-6-8-17(18)13(2)3/h6-13H,5H2,1-4H3,(H2,20,21,23)
InChIKeyIZYZOUQOFBEPJW-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.33
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea

1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea (PubChem CID 17264833) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea
PubChem CID17264833
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-5-22-16-11-9-15(10-12-16)20-19(23)21-18-14(4)7-6-8-17(18)13(2)3/h6-13H,5H2,1-4H3,(H2,20,21,23)
InChIKeyIZYZOUQOFBEPJW-UHFFFAOYSA-N
XLogP5.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.33
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

2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
CID 87125510
CID 87125510
1-(2,6-dimethylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 699953
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
1-(4-cyanophenyl)-3-(4-ethoxyphenyl)thiourea
CID 23904984
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide
CID 8927048

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea (CID 17264833) is 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea is CCOc1ccc(NC(=S)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea?
The InChIKey is IZYZOUQOFBEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-22-16-11-9-15(10-12-16)20-19(23)21-18-14(4)7-6-8-17(18)13(2)3/h6-13H,5H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea?
1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea has a molecular weight of 328.48 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 17264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).