[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea

C15H15N3S — CID 5392292

IUPAC[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)/b17-11-
InChIKeyXDGIFUBPAVQFCJ-BOPFTXTBSA-N
MW269.37 g/mol
LogP2.91
Rot. Bonds3

About [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea

[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea (PubChem CID 5392292) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
PubChem CID5392292
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)/b17-11-
InChIKeyXDGIFUBPAVQFCJ-BOPFTXTBSA-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'}

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Related Compounds

(1-phenylethylideneamino)thiourea
CID 912962
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 1136936

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea (CID 5392292) is [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea?
The InChIKey is XDGIFUBPAVQFCJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)/b17-11-.
What are the key properties of [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea?
[(Z)-1-(4-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 [(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 5392292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).