3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea

C13H20N2OS — CID 5176938

IUPAC3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCOCCNC(=S)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H20N2OS/c1-11(2)15(12-7-5-4-6-8-12)13(17)14-9-10-16-3/h4-8,11H,9-10H2,1-3H3,(H,14,17)
InChIKeyIFEWVFIMIVZVSE-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea

3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea (PubChem CID 5176938) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
PubChem CID5176938
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCOCCNC(=S)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H20N2OS/c1-11(2)15(12-7-5-4-6-8-12)13(17)14-9-10-16-3/h4-8,11H,9-10H2,1-3H3,(H,14,17)
InChIKeyIFEWVFIMIVZVSE-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-(2-methoxyethyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110939715
1-benzyl-3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 3294970
2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-(2-methoxyethyl)acetamide
CID 61487413
1,1-di(butan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19653498
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
1-(2-methoxyethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 6038171
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea?
The IUPAC name of 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea (CID 5176938) is 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea?
The canonical SMILES for 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea is COCCNC(=S)N(c1ccccc1)C(C)C.
What is the InChIKey of 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea?
The InChIKey is IFEWVFIMIVZVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(2)15(12-7-5-4-6-8-12)13(17)14-9-10-16-3/h4-8,11H,9-10H2,1-3H3,(H,14,17).
What are the key properties of 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea?
3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea has a molecular weight of 252.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea is sourced from PubChem (CID 5176938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).