1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea

C12H13N5O2Se — CID 177448798

IUPAC1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1[se]c(N)nc1O
InChIInChI=1S/C12H13N5O2Se/c1-7(9-10(18)15-11(13)20-9)16-17-12(19)14-8-5-3-2-4-6-8/h2-6,18H,1H3,(H2,13,15)(H2,14,17,19)/b16-7+
InChIKeyGUCMQVCRZBOPIG-FRKPEAEDSA-N
MW338.23 g/mol
LogP0.97
Rot. Bonds3

About 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea

1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea (PubChem CID 177448798) has the molecular formula C12H13N5O2Se and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea
PubChem CID177448798
Molecular FormulaC12H13N5O2Se
Molecular Weight338.23 g/mol
Exact Mass339.02
IUPAC Name1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1[se]c(N)nc1O
InChIInChI=1S/C12H13N5O2Se/c1-7(9-10(18)15-11(13)20-9)16-17-12(19)14-8-5-3-2-4-6-8/h2-6,18H,1H3,(H2,13,15)(H2,14,17,19)/b16-7+
InChIKeyGUCMQVCRZBOPIG-FRKPEAEDSA-N
XLogP0.97
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
1-[1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-phenylurea
CID 3710651
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
CID 9242121
methyl 3-cyano-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxo-3-phenylpentanoate
CID 10454002
methyl (2Z,3E)-3-(phenylcarbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
CID 134915238
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
ethyl 5-methyl-4-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-nitrofuran-3-carboxylate
CID 171716445

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea (CID 177448798) is 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea is C/C(=N\NC(=O)Nc1ccccc1)c1[se]c(N)nc1O.
What is the InChIKey of 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea?
The InChIKey is GUCMQVCRZBOPIG-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H13N5O2Se/c1-7(9-10(18)15-11(13)20-9)16-17-12(19)14-8-5-3-2-4-6-8/h2-6,18H,1H3,(H2,13,15)(H2,14,17,19)/b16-7+.
What are the key properties of 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea?
1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea has a molecular weight of 338.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea is sourced from PubChem (CID 177448798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).