(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine

C22H19N3OS — CID 8980480

IUPAC(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
SMILESC(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C22H19N3OS/c1-3-7-19-17(5-1)18-6-2-4-8-20(18)22(19)24-23-15-16-9-10-21(27-16)25-11-13-26-14-12-25/h1-10,15H,11-14H2/b23-15-
InChIKeyHKMCFDYZWSWOCG-HAHDFKILSA-N
MW373.48 g/mol
LogP4.44
Rot. Bonds3

About (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine

(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine (PubChem CID 8980480) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
PubChem CID8980480
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
SMILESC(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C22H19N3OS/c1-3-7-19-17(5-1)18-6-2-4-8-20(18)22(19)24-23-15-16-9-10-21(27-16)25-11-13-26-14-12-25/h1-10,15H,11-14H2/b23-15-
InChIKeyHKMCFDYZWSWOCG-HAHDFKILSA-N
XLogP4.44
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine?
The IUPAC name of (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine (CID 8980480) is (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine.
What is the SMILES notation for (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine?
The canonical SMILES for (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine is C(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc(N2CCOCC2)s1.
What is the InChIKey of (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine?
The InChIKey is HKMCFDYZWSWOCG-HAHDFKILSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-3-7-19-17(5-1)18-6-2-4-8-20(18)22(19)24-23-15-16-9-10-21(27-16)25-11-13-26-14-12-25/h1-10,15H,11-14H2/b23-15-.
What are the key properties of (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine?
(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine has a molecular weight of 373.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine is sourced from PubChem (CID 8980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).