N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide

C12H9N3O4S — CID 6177155

IUPACN-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C\C=C\c1ccc([N+](=O)[O-])o1)c1cccs1
InChIInChI=1S/C12H9N3O4S/c16-12(10-4-2-8-20-10)14-13-7-1-3-9-5-6-11(19-9)15(17)18/h1-8H,(H,14,16)/b3-1+,13-7-
InChIKeyGHQRKQWRRAIQAB-QPUBNDFUSA-N
MW291.29 g/mol
LogP2.68
Rot. Bonds5

About N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide

N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6177155) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6177155
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC NameN-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C\C=C\c1ccc([N+](=O)[O-])o1)c1cccs1
InChIInChI=1S/C12H9N3O4S/c16-12(10-4-2-8-20-10)14-13-7-1-3-9-5-6-11(19-9)15(17)18/h1-8H,(H,14,16)/b3-1+,13-7-
InChIKeyGHQRKQWRRAIQAB-QPUBNDFUSA-N
XLogP2.68
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide (CID 6177155) is N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide is O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])o1)c1cccs1.
What is the InChIKey of N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is GHQRKQWRRAIQAB-QPUBNDFUSA-N. The full InChI is InChI=1S/C12H9N3O4S/c16-12(10-4-2-8-20-10)14-13-7-1-3-9-5-6-11(19-9)15(17)18/h1-8H,(H,14,16)/b3-1+,13-7-.
What are the key properties of N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6177155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).