[(E)-1,2-diphenylethylideneamino]thiourea

C15H15N3S — CID 52945875

IUPAC[(E)-1,2-diphenylethylideneamino]thiourea
SMILESNC(=S)N/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-15(19)18-17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,16,18,19)/b17-14+
InChIKeyWHRFFXUXTGIZOH-SAPNQHFASA-N
MW269.37 g/mol
LogP2.47
Rot. Bonds4

About [(E)-1,2-diphenylethylideneamino]thiourea

[(E)-1,2-diphenylethylideneamino]thiourea (PubChem CID 52945875) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(E)-1,2-diphenylethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1,2-diphenylethylideneamino]thiourea
PubChem CID52945875
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[(E)-1,2-diphenylethylideneamino]thiourea
SMILESNC(=S)N/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-15(19)18-17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,16,18,19)/b17-14+
InChIKeyWHRFFXUXTGIZOH-SAPNQHFASA-N
XLogP2.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.47
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

[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
CID 5359914
N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
CID 18795136
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
N-[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-methylpropanamide
CID 54332763
2-(1,2-diphenylethylideneamino)guanidine
CID 77060183
(1-phenylethylideneamino)thiourea
CID 912962
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
CID 173316009
1,2-diphenylethylidenehydrazine;ethane
CID 91449631
[[(3-benzylphenyl)-phenylmethylidene]amino]thiourea;ethane
CID 158634364
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-diphenylethylideneamino]thiourea?
The IUPAC name of [(E)-1,2-diphenylethylideneamino]thiourea (CID 52945875) is [(E)-1,2-diphenylethylideneamino]thiourea.
What is the SMILES notation for [(E)-1,2-diphenylethylideneamino]thiourea?
The canonical SMILES for [(E)-1,2-diphenylethylideneamino]thiourea is NC(=S)N/N=C(\Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,2-diphenylethylideneamino]thiourea?
The InChIKey is WHRFFXUXTGIZOH-SAPNQHFASA-N. The full InChI is InChI=1S/C15H15N3S/c16-15(19)18-17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,16,18,19)/b17-14+.
What are the key properties of [(E)-1,2-diphenylethylideneamino]thiourea?
[(E)-1,2-diphenylethylideneamino]thiourea has a molecular weight of 269.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-diphenylethylideneamino]thiourea is sourced from PubChem (CID 52945875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).