N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide

C12H10N2O2S — CID 6865118

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cccs1
InChIInChI=1S/C12H10N2O2S/c15-12(11-6-3-9-17-11)14-13-7-1-4-10-5-2-8-16-10/h1-9H,(H,14,15)/b4-1+,13-7+
InChIKeyYABRUOZHPIBVBK-NYNQDTEKSA-N
MW246.29 g/mol
LogP2.77
Rot. Bonds4

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

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6865118) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6865118
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cccs1
InChIInChI=1S/C12H10N2O2S/c15-12(11-6-3-9-17-11)14-13-7-1-4-10-5-2-8-16-10/h1-9H,(H,14,15)/b4-1+,13-7+
InChIKeyYABRUOZHPIBVBK-NYNQDTEKSA-N
XLogP2.77
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.77
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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide (CID 6865118) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide is O=C(N/N=C/C=C/c1ccco1)c1cccs1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is YABRUOZHPIBVBK-NYNQDTEKSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12(11-6-3-9-17-11)14-13-7-1-4-10-5-2-8-16-10/h1-9H,(H,14,15)/b4-1+,13-7+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6865118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).