1-Morpholin-4-yl-3-(2-phenylethyl)thiourea

C13H19N3OS — CID 800356

IUPAC1-morpholin-4-yl-3-(2-phenylethyl)thiourea
SMILESC1COCCN1NC(=S)NCCC2=CC=CC=C2
InChIInChI=1S/C13H19N3OS/c18-13(15-16-8-10-17-11-9-16)14-7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,15,18)
InChIKeyDUSWJMPWEXUOTH-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.80
Rot. Bonds4

About 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea

1-Morpholin-4-yl-3-(2-phenylethyl)thiourea (PubChem CID 800356) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-Morpholin-4-yl-3-(2-phenylethyl)thiourea
PubChem CID800356
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-morpholin-4-yl-3-(2-phenylethyl)thiourea
SMILESC1COCCN1NC(=S)NCCC2=CC=CC=C2
InChIInChI=1S/C13H19N3OS/c18-13(15-16-8-10-17-11-9-16)14-7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,15,18)
InChIKeyDUSWJMPWEXUOTH-UHFFFAOYSA-N
XLogP1.80
TPSA68.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity251

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea (CID 800356) is 1-morpholin-4-yl-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea is C1COCCN1NC(=S)NCCC2=CC=CC=C2.
What is the InChIKey of 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea?
The InChIKey is DUSWJMPWEXUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c18-13(15-16-8-10-17-11-9-16)14-7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,15,18).
What are the key properties of 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea?
1-Morpholin-4-yl-3-(2-phenylethyl)thiourea has a molecular weight of 265.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Morpholin-4-yl-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 800356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).