[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea

C15H16N4S — CID 11737693

IUPAC[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N4S/c1-11(18-19-15(16)20)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H3,16,19,20)/b18-11+
InChIKeyUYRRWIXEEYODEH-WOJGMQOQSA-N
MW284.39 g/mol
LogP2.99
Rot. Bonds4

About [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea

[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea (PubChem CID 11737693) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
PubChem CID11737693
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N4S/c1-11(18-19-15(16)20)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H3,16,19,20)/b18-11+
InChIKeyUYRRWIXEEYODEH-WOJGMQOQSA-N
XLogP2.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.99
H-Bond Donors ≤ 53
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'}

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Related Compounds

(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
4-anilinobenzenecarbothioamide
CID 3008553
[(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
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea (CID 11737693) is [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea?
The InChIKey is UYRRWIXEEYODEH-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11(18-19-15(16)20)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H3,16,19,20)/b18-11+.
What are the key properties of [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea?
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea has a molecular weight of 284.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-anilinophenyl)ethylideneamino]thiourea is sourced from PubChem (CID 11737693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).