N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide

C10H8N2O2S — CID 6867869

IUPACN-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cccs1
InChIInChI=1S/C10H8N2O2S/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13)/b11-7+
InChIKeyISTFEGKCGPOOMV-YRNVUSSQSA-N
MW220.25 g/mol
LogP2.11
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide

N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 6867869) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID6867869
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cccs1
InChIInChI=1S/C10H8N2O2S/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13)/b11-7+
InChIKeyISTFEGKCGPOOMV-YRNVUSSQSA-N
XLogP2.11
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide (CID 6867869) is N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccco1)c1cccs1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is ISTFEGKCGPOOMV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13)/b11-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6867869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).