1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea

C15H19FN4O3S — CID 9468842

IUPAC1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
SMILESO=C(CCC(=O)N1CCOCC1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H19FN4O3S/c16-11-3-1-2-4-12(11)17-15(24)19-18-13(21)5-6-14(22)20-7-9-23-10-8-20/h1-4H,5-10H2,(H,18,21)(H2,17,19,24)
InChIKeyQGPOPPURUXDTCO-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea

1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea (PubChem CID 9468842) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
PubChem CID9468842
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
SMILESO=C(CCC(=O)N1CCOCC1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H19FN4O3S/c16-11-3-1-2-4-12(11)17-15(24)19-18-13(21)5-6-14(22)20-7-9-23-10-8-20/h1-4H,5-10H2,(H,18,21)(H2,17,19,24)
InChIKeyQGPOPPURUXDTCO-UHFFFAOYSA-N
XLogP0.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.78
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'}

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Related Compounds

N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-(2-fluorophenyl)thiourea
CID 8785581
1-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-3-(2-fluorophenyl)thiourea
CID 9468653
1-(2-fluorophenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea
CID 9468603
1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea
CID 9468573
1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(2-fluorophenyl)thiourea
CID 9278319
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625478
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea (CID 9468842) is 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea is O=C(CCC(=O)N1CCOCC1)NNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea?
The InChIKey is QGPOPPURUXDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c16-11-3-1-2-4-12(11)17-15(24)19-18-13(21)5-6-14(22)20-7-9-23-10-8-20/h1-4H,5-10H2,(H,18,21)(H2,17,19,24).
What are the key properties of 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea?
1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea has a molecular weight of 354.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea is sourced from PubChem (CID 9468842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).