1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea

C14H21N3O2S — CID 738882

IUPAC1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-18-13-4-2-12(3-5-13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
InChIKeyRZHYSLUFWXIQIJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.31
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 738882) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID738882
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-18-13-4-2-12(3-5-13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
InChIKeyRZHYSLUFWXIQIJ-UHFFFAOYSA-N
XLogP1.31
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 738882) is 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is COc1ccc(NC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is RZHYSLUFWXIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-18-13-4-2-12(3-5-13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 295.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 738882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).