1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea

C14H15N3O2S — CID 22299686

IUPAC1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
SMILESCCSNC(=O)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15N3O2S/c1-2-20-17-14(18)16-15-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,16,17,18)/b15-10+
InChIKeyTYVWFFTYFITAJW-XNTDXEJSSA-N
MW289.36 g/mol
LogP3.25
Rot. Bonds5

About 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea

1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea (PubChem CID 22299686) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
PubChem CID22299686
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
SMILESCCSNC(=O)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15N3O2S/c1-2-20-17-14(18)16-15-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,16,17,18)/b15-10+
InChIKeyTYVWFFTYFITAJW-XNTDXEJSSA-N
XLogP3.25
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-phenylfuran-2-yl)methylideneamino]acetamide
CID 3800802
butyl 4-[5-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 126069847
1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one
CID 157308513
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-phenylfuran-2-yl)methylideneamino]acetamide
CID 4709951
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4222897
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
1-[[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4650776
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
CID 141475173
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The IUPAC name of 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea (CID 22299686) is 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The canonical SMILES for 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea is CCSNC(=O)N/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The InChIKey is TYVWFFTYFITAJW-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-20-17-14(18)16-15-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,16,17,18)/b15-10+.
What are the key properties of 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea has a molecular weight of 289.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 22299686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).