N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide

C10H7N3O4S — CID 5428249

IUPACN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccs1
InChIInChI=1S/C10H7N3O4S/c14-10(8-2-1-5-18-8)12-11-6-7-3-4-9(17-7)13(15)16/h1-6H,(H,12,14)/b11-6-
InChIKeyAKBPCJXSFLISFL-WDZFZDKYSA-N
MW265.25 g/mol
LogP2.01
Rot. Bonds4

About N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 5428249) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID5428249
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC NameN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccs1
InChIInChI=1S/C10H7N3O4S/c14-10(8-2-1-5-18-8)12-11-6-7-3-4-9(17-7)13(15)16/h1-6H,(H,12,14)/b11-6-
InChIKeyAKBPCJXSFLISFL-WDZFZDKYSA-N
XLogP2.01
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-thiophen-2-ylurea
CID 7559615
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(2S)-4-methyl-1-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 6445699
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide (CID 5428249) is N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccs1.
What is the InChIKey of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is AKBPCJXSFLISFL-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-10(8-2-1-5-18-8)12-11-6-7-3-4-9(17-7)13(15)16/h1-6H,(H,12,14)/b11-6-.
What are the key properties of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 265.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5428249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).