1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

C15H23N3OS — CID 2257807

IUPAC1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCc1cccc(NC(=S)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H23N3OS/c1-13-4-2-5-14(12-13)17-15(20)16-6-3-7-18-8-10-19-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H2,16,17,20)
InChIKeyASXVETCENISPRU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.00
Rot. Bonds5

About 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2257807) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2257807
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCc1cccc(NC(=S)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H23N3OS/c1-13-4-2-5-14(12-13)17-15(20)16-6-3-7-18-8-10-19-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H2,16,17,20)
InChIKeyASXVETCENISPRU-UHFFFAOYSA-N
XLogP2.00
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 2257807) is 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is Cc1cccc(NC(=S)NCCCN2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is ASXVETCENISPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-13-4-2-5-14(12-13)17-15(20)16-6-3-7-18-8-10-19-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 293.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2257807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).