1-(2-morpholin-4-ylethyl)-3-phenylthiourea

C13H19N3OS — CID 722642

IUPAC1-(2-morpholin-4-ylethyl)-3-phenylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H19N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h1-5H,6-11H2,(H2,14,15,18)
InChIKeyULYUELUHTXYHQQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-phenylthiourea

1-(2-morpholin-4-ylethyl)-3-phenylthiourea (PubChem CID 722642) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-phenylthiourea
PubChem CID722642
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(2-morpholin-4-ylethyl)-3-phenylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H19N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h1-5H,6-11H2,(H2,14,15,18)
InChIKeyULYUELUHTXYHQQ-UHFFFAOYSA-N
XLogP1.31
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.31
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-ylethyl)-3-phenylthiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-phenylthiourea (CID 722642) is 1-(2-morpholin-4-ylethyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-phenylthiourea is S=C(NCCN1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-phenylthiourea?
The InChIKey is ULYUELUHTXYHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h1-5H,6-11H2,(H2,14,15,18).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-phenylthiourea?
1-(2-morpholin-4-ylethyl)-3-phenylthiourea has a molecular weight of 265.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-phenylthiourea is sourced from PubChem (CID 722642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).