[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea

C12H11N3O2S — CID 5426367

IUPAC[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C12H11N3O2S/c13-12(16)15-14-8-9-6-7-11(17-9)18-10-4-2-1-3-5-10/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyDPMBWTZNBIFSKF-RIYZIHGNSA-N
MW261.31 g/mol
LogP2.43
Rot. Bonds4

About [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea

[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea (PubChem CID 5426367) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
PubChem CID5426367
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C12H11N3O2S/c13-12(16)15-14-8-9-6-7-11(17-9)18-10-4-2-1-3-5-10/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyDPMBWTZNBIFSKF-RIYZIHGNSA-N
XLogP2.43
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.43
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'}

Analyze [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1244627
[(E)-benzylideneamino]urea
CID 6861419
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea (CID 5426367) is [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(Sc2ccccc2)o1.
What is the InChIKey of [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea?
The InChIKey is DPMBWTZNBIFSKF-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-12(16)15-14-8-9-6-7-11(17-9)18-10-4-2-1-3-5-10/h1-8H,(H3,13,15,16)/b14-8+.
What are the key properties of [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea?
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea has a molecular weight of 261.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 5426367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).