1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea

C17H22N2O2S2 — CID 3518094

IUPAC1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1ccccc1OC)C(C)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c1-13(16-9-6-12-23-16)19(10-11-20-2)17(22)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,22)
InChIKeySPIOSGVWCNNJNF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.16
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea

1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea (PubChem CID 3518094) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea
PubChem CID3518094
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1ccccc1OC)C(C)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c1-13(16-9-6-12-23-16)19(10-11-20-2)17(22)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,22)
InChIKeySPIOSGVWCNNJNF-UHFFFAOYSA-N
XLogP4.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea (CID 3518094) is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea is COCCN(C(=S)Nc1ccccc1OC)C(C)c1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The InChIKey is SPIOSGVWCNNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-13(16-9-6-12-23-16)19(10-11-20-2)17(22)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,22).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea has a molecular weight of 350.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-(1-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 3518094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).