1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea

C15H21FN4O2S — CID 8625156

IUPAC1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H21FN4O2S/c16-13-5-2-1-4-12(13)14(21)18-19-15(23)17-6-3-7-20-8-10-22-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,21)(H2,17,19,23)
InChIKeyHEDWBRREELMPFG-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.66
Rot. Bonds5

About 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8625156) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8625156
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC Name1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H21FN4O2S/c16-13-5-2-1-4-12(13)14(21)18-19-15(23)17-6-3-7-20-8-10-22-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,21)(H2,17,19,23)
InChIKeyHEDWBRREELMPFG-UHFFFAOYSA-N
XLogP0.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 8625156) is 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is O=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1F.
What is the InChIKey of 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is HEDWBRREELMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c16-13-5-2-1-4-12(13)14(21)18-19-15(23)17-6-3-7-20-8-10-22-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,21)(H2,17,19,23).
What are the key properties of 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 340.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8625156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).