[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea

C15H10N4S — CID 5423405

IUPAC[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea
SMILESN#Cc1cccc2c1-c1ccccc1/C2=N/NC(N)=S
InChIInChI=1S/C15H10N4S/c16-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14(12)18-19-15(17)20/h1-7H,(H3,17,19,20)/b18-14-
InChIKeyFMBYXNZAJIVYRV-JXAWBTAJSA-N
MW278.34 g/mol
LogP2.12
Rot. Bonds1

About [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea

[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea (PubChem CID 5423405) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea
PubChem CID5423405
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea
SMILESN#Cc1cccc2c1-c1ccccc1/C2=N/NC(N)=S
InChIInChI=1S/C15H10N4S/c16-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14(12)18-19-15(17)20/h1-7H,(H3,17,19,20)/b18-14-
InChIKeyFMBYXNZAJIVYRV-JXAWBTAJSA-N
XLogP2.12
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea 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 [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea (CID 5423405) is [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea is N#Cc1cccc2c1-c1ccccc1/C2=N/NC(N)=S.
What is the InChIKey of [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea?
The InChIKey is FMBYXNZAJIVYRV-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H10N4S/c16-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14(12)18-19-15(17)20/h1-7H,(H3,17,19,20)/b18-14-.
What are the key properties of [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea?
[(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea has a molecular weight of 278.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-cyanofluoren-9-ylidene)amino]thiourea is sourced from PubChem (CID 5423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).