[(Z)-(5-aminofuran-2-yl)methylideneamino]urea

C6H8N4O2 — CID 5396872

IUPAC[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(N)o1
InChIInChI=1S/C6H8N4O2/c7-5-2-1-4(12-5)3-9-10-6(8)11/h1-3H,7H2,(H3,8,10,11)/b9-3-
InChIKeyWIDJXWNKORRSLM-OQFOIZHKSA-N
MW168.16 g/mol
LogP-0.14
Rot. Bonds2

About [(Z)-(5-aminofuran-2-yl)methylideneamino]urea

[(Z)-(5-aminofuran-2-yl)methylideneamino]urea (PubChem CID 5396872) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is [(Z)-(5-aminofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
PubChem CID5396872
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(N)o1
InChIInChI=1S/C6H8N4O2/c7-5-2-1-4(12-5)3-9-10-6(8)11/h1-3H,7H2,(H3,8,10,11)/b9-3-
InChIKeyWIDJXWNKORRSLM-OQFOIZHKSA-N
XLogP-0.14
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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'}

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Related Compounds

[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
[(E)-benzylideneamino]urea
CID 6861419
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-aminofuran-2-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-aminofuran-2-yl)methylideneamino]urea (CID 5396872) is [(Z)-(5-aminofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-aminofuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-aminofuran-2-yl)methylideneamino]urea is NC(=O)N/N=C\c1ccc(N)o1.
What is the InChIKey of [(Z)-(5-aminofuran-2-yl)methylideneamino]urea?
The InChIKey is WIDJXWNKORRSLM-OQFOIZHKSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-5-2-1-4(12-5)3-9-10-6(8)11/h1-3H,7H2,(H3,8,10,11)/b9-3-.
What are the key properties of [(Z)-(5-aminofuran-2-yl)methylideneamino]urea?
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea has a molecular weight of 168.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-aminofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 5396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).