[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea

C15H15N3S — CID 11161535

IUPAC[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H15N3S/c1-11(17-18-15(16)19)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3,(H3,16,18,19)/b17-11+
InChIKeyOEMPMQMUBMCYOI-GZTJUZNOSA-N
MW269.37 g/mol
LogP2.91
Rot. Bonds3

About [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea

[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea (PubChem CID 11161535) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea
PubChem CID11161535
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H15N3S/c1-11(17-18-15(16)19)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3,(H3,16,18,19)/b17-11+
InChIKeyOEMPMQMUBMCYOI-GZTJUZNOSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(E)-1-(3-phenylphenyl)ethylideneamino]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 [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea (CID 11161535) is [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1cccc(-c2ccccc2)c1.
What is the InChIKey of [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea?
The InChIKey is OEMPMQMUBMCYOI-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3,(H3,16,18,19)/b17-11+.
What are the key properties of [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea?
[(E)-1-(3-phenylphenyl)ethylideneamino]thiourea has a molecular weight of 269.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3-phenylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 11161535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).