5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione

C26H23FN2OS — CID 58155199

IUPAC5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione
SMILESFc1ccc(N=C(c2ccccc2)c2ccccc2)cc1C1(C2CC2)COCC(=S)N1
InChIInChI=1S/C26H23FN2OS/c27-23-14-13-21(15-22(23)26(20-11-12-20)17-30-16-24(31)29-26)28-25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,29,31)
InChIKeyKHDZYNFPNVRDTQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.55
Rot. Bonds5

About 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione

5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione (PubChem CID 58155199) has the molecular formula C26H23FN2OS and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione.

Molecular Properties

Compound Name5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione
PubChem CID58155199
Molecular FormulaC26H23FN2OS
Molecular Weight430.55 g/mol
Exact Mass430.15
IUPAC Name5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione
SMILESFc1ccc(N=C(c2ccccc2)c2ccccc2)cc1C1(C2CC2)COCC(=S)N1
InChIInChI=1S/C26H23FN2OS/c27-23-14-13-21(15-22(23)26(20-11-12-20)17-30-16-24(31)29-26)28-25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,29,31)
InChIKeyKHDZYNFPNVRDTQ-UHFFFAOYSA-N
XLogP5.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione 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 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione?
The IUPAC name of 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione (CID 58155199) is 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione.
What is the SMILES notation for 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione?
The canonical SMILES for 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione is Fc1ccc(N=C(c2ccccc2)c2ccccc2)cc1C1(C2CC2)COCC(=S)N1.
What is the InChIKey of 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione?
The InChIKey is KHDZYNFPNVRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2OS/c27-23-14-13-21(15-22(23)26(20-11-12-20)17-30-16-24(31)29-26)28-25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,29,31).
What are the key properties of 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione?
5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione has a molecular weight of 430.55 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(benzhydrylideneamino)-2-fluorophenyl]-5-cyclopropylmorpholine-3-thione is sourced from PubChem (CID 58155199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).