[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea

C22H19N3S — CID 54768952

IUPAC[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H19N3S/c23-22(26)25-24-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H3,23,25,26)/b16-13+,24-21-
InChIKeyLVXDKUJAZOQDKH-RQOAOWHESA-N
MW357.48 g/mol
LogP4.60
Rot. Bonds5

About [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea

[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea (PubChem CID 54768952) has the molecular formula C22H19N3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea
PubChem CID54768952
Molecular FormulaC22H19N3S
Molecular Weight357.48 g/mol
Exact Mass357.13
IUPAC Name[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H19N3S/c23-22(26)25-24-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H3,23,25,26)/b16-13+,24-21-
InChIKeyLVXDKUJAZOQDKH-RQOAOWHESA-N
XLogP4.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea (CID 54768952) is [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea is NC(=S)N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea?
The InChIKey is LVXDKUJAZOQDKH-RQOAOWHESA-N. The full InChI is InChI=1S/C22H19N3S/c23-22(26)25-24-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H3,23,25,26)/b16-13+,24-21-.
What are the key properties of [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea?
[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea has a molecular weight of 357.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]thiourea is sourced from PubChem (CID 54768952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).