1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea

C13H19N3OS — CID 2731347

IUPAC1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea
SMILESCN(C)C(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3OS/c1-15(2)13(18)14-11-3-5-12(6-4-11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,18)
InChIKeyYYHSGTGIMMQULW-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.78
Rot. Bonds2

About 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea

1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea (PubChem CID 2731347) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea
PubChem CID2731347
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea
SMILESCN(C)C(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3OS/c1-15(2)13(18)14-11-3-5-12(6-4-11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,18)
InChIKeyYYHSGTGIMMQULW-UHFFFAOYSA-N
XLogP1.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)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 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea?
The IUPAC name of 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea (CID 2731347) is 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea.
What is the SMILES notation for 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea?
The canonical SMILES for 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea is CN(C)C(=S)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea?
The InChIKey is YYHSGTGIMMQULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15(2)13(18)14-11-3-5-12(6-4-11)16-7-9-17-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,18).
What are the key properties of 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea?
1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea has a molecular weight of 265.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-morpholin-4-ylphenyl)thiourea is sourced from PubChem (CID 2731347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).