1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea

C10H8N4O4S — CID 7559615

IUPAC1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)Nc1cccs1
InChIInChI=1S/C10H8N4O4S/c15-10(12-8-2-1-5-19-8)13-11-6-7-3-4-9(18-7)14(16)17/h1-6H,(H2,12,13,15)/b11-6-
InChIKeyYGUYJEZCSMRXLC-WDZFZDKYSA-N
MW280.27 g/mol
LogP2.40
Rot. Bonds4

About 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea

1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea (PubChem CID 7559615) has the molecular formula C10H8N4O4S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea
PubChem CID7559615
Molecular FormulaC10H8N4O4S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)Nc1cccs1
InChIInChI=1S/C10H8N4O4S/c15-10(12-8-2-1-5-19-8)13-11-6-7-3-4-9(18-7)14(16)17/h1-6H,(H2,12,13,15)/b11-6-
InChIKeyYGUYJEZCSMRXLC-WDZFZDKYSA-N
XLogP2.40
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
(3E)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(pyridin-4-ylmethylidene)urea
CID 10452903
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
CID 9352807
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
1-(4-methylphenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 5418895
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea (CID 7559615) is 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea is O=C(N/N=C\c1ccc([N+](=O)[O-])o1)Nc1cccs1.
What is the InChIKey of 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea?
The InChIKey is YGUYJEZCSMRXLC-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-10(12-8-2-1-5-19-8)13-11-6-7-3-4-9(18-7)14(16)17/h1-6H,(H2,12,13,15)/b11-6-.
What are the key properties of 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea?
1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea has a molecular weight of 280.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea is sourced from PubChem (CID 7559615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).