1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea

C13H18N4O2S — CID 954334

IUPAC1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea
SMILESO=C(CN1CCOCC1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C13H18N4O2S/c18-12(10-17-6-8-19-9-7-17)15-16-13(20)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H2,14,16,20)
InChIKeyRNQDLQSKFLUEIT-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.34
Rot. Bonds3

About 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea

1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea (PubChem CID 954334) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea
PubChem CID954334
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea
SMILESO=C(CN1CCOCC1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C13H18N4O2S/c18-12(10-17-6-8-19-9-7-17)15-16-13(20)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H2,14,16,20)
InChIKeyRNQDLQSKFLUEIT-UHFFFAOYSA-N
XLogP0.34
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea 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-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea (CID 954334) is 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea is O=C(CN1CCOCC1)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea?
The InChIKey is RNQDLQSKFLUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-12(10-17-6-8-19-9-7-17)15-16-13(20)14-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H2,14,16,20).
What are the key properties of 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea?
1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea has a molecular weight of 294.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-ylacetyl)amino]-3-phenylthiourea is sourced from PubChem (CID 954334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).