[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea

C16H17N3S — CID 54785271

IUPAC[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-12(18-19-16(17)20)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H3,17,19,20)/b18-12+
InChIKeyDDHLCXFYDXLVQK-LDADJPATSA-N
MW283.40 g/mol
LogP3.03
Rot. Bonds4

About [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea

[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea (PubChem CID 54785271) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
PubChem CID54785271
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-12(18-19-16(17)20)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H3,17,19,20)/b18-12+
InChIKeyDDHLCXFYDXLVQK-LDADJPATSA-N
XLogP3.03
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.03
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

N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
(1-phenylethylideneamino)thiourea
CID 912962
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
3-(carbamothioylhydrazinylidene)-N-(1-phenylethyl)butanamide
CID 3130014
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
(3-methylbutan-2-ylideneamino)thiourea
CID 4209785
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
methyl 2-(carbamothioylhydrazinylidene)-3-cyano-3-phenylpropanoate
CID 3004182
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693

Frequently Asked Questions

What is the IUPAC name of [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea?
The IUPAC name of [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea (CID 54785271) is [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea.
What is the SMILES notation for [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea?
The canonical SMILES for [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea is C/C(=N\NC(N)=S)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea?
The InChIKey is DDHLCXFYDXLVQK-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12(18-19-16(17)20)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H3,17,19,20)/b18-12+.
What are the key properties of [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea?
[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea has a molecular weight of 283.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1-diphenylpropan-2-ylideneamino]thiourea is sourced from PubChem (CID 54785271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).