1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea

C18H16FN5O2S — CID 9278302

IUPAC1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
SMILESO=C(CCc1nc(-c2ccccc2)no1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)20-18(27)23-22-15(25)10-11-16-21-17(24-26-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,25)(H2,20,23,27)
InChIKeyXAZVPAOKSYCFDI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea

1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea (PubChem CID 9278302) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
PubChem CID9278302
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
SMILESO=C(CCc1nc(-c2ccccc2)no1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)20-18(27)23-22-15(25)10-11-16-21-17(24-26-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,25)(H2,20,23,27)
InChIKeyXAZVPAOKSYCFDI-UHFFFAOYSA-N
XLogP2.83
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea (CID 9278302) is 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea is O=C(CCc1nc(-c2ccccc2)no1)NNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea?
The InChIKey is XAZVPAOKSYCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)20-18(27)23-22-15(25)10-11-16-21-17(24-26-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,25)(H2,20,23,27).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea?
1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea has a molecular weight of 385.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea is sourced from PubChem (CID 9278302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).