[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea

C17H17N3S — CID 54576742

IUPAC[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
SMILESCc1ccc(C(/C=C/c2ccccc2)=N\NC(N)=S)cc1
InChIInChI=1S/C17H17N3S/c1-13-7-10-15(11-8-13)16(19-20-17(18)21)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H3,18,20,21)/b12-9+,19-16-
InChIKeyVPKCMZUUHKVTQG-GMPOYPNHSA-N
MW295.41 g/mol
LogP3.25
Rot. Bonds4

About [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea

[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea (PubChem CID 54576742) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
PubChem CID54576742
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
SMILESCc1ccc(C(/C=C/c2ccccc2)=N\NC(N)=S)cc1
InChIInChI=1S/C17H17N3S/c1-13-7-10-15(11-8-13)16(19-20-17(18)21)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H3,18,20,21)/b12-9+,19-16-
InChIKeyVPKCMZUUHKVTQG-GMPOYPNHSA-N
XLogP3.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.25
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-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
CID 102368885
[(2-hydroxyimino-1-phenylethylidene)amino]thiourea
CID 151020429
[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea
CID 139074433
[(E)-[1-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-phenylprop-2-enylidene]amino]thiourea
CID 135751885
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea
CID 73211904
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-(4-acetylphenyl)-2-(carbamothioylhydrazinylidene)-4-oxo-6-phenylhex-5-enamide
CID 3004362
(Z,2Z)-N-(4-acetylphenyl)-2-(carbamothioylhydrazinylidene)-4-oxo-6-phenylhex-5-enamide
CID 98558653

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea (CID 54576742) is [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea is Cc1ccc(C(/C=C/c2ccccc2)=N\NC(N)=S)cc1.
What is the InChIKey of [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea?
The InChIKey is VPKCMZUUHKVTQG-GMPOYPNHSA-N. The full InChI is InChI=1S/C17H17N3S/c1-13-7-10-15(11-8-13)16(19-20-17(18)21)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H3,18,20,21)/b12-9+,19-16-.
What are the key properties of [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea?
[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea has a molecular weight of 295.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea is sourced from PubChem (CID 54576742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).