1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea

C19H23N3OS — CID 972608

IUPAC1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H23N3OS/c24-19(20-11-10-16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)22-12-14-23-15-13-22/h1-9H,10-15H2,(H2,20,21,24)
InChIKeyCJPFOTNAEMUSQY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea

1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea (PubChem CID 972608) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea
PubChem CID972608
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H23N3OS/c24-19(20-11-10-16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)22-12-14-23-15-13-22/h1-9H,10-15H2,(H2,20,21,24)
InChIKeyCJPFOTNAEMUSQY-UHFFFAOYSA-N
XLogP3.05
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea (CID 972608) is 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is CJPFOTNAEMUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c24-19(20-11-10-16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)22-12-14-23-15-13-22/h1-9H,10-15H2,(H2,20,21,24).
What are the key properties of 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea?
1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 341.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylphenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 972608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).