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

C13H12N2O2S — CID 6865134

IUPACN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cccs1)=C\c1ccco1
InChIInChI=1S/C13H12N2O2S/c1-10(8-11-4-2-6-17-11)9-14-15-13(16)12-5-3-7-18-12/h2-9H,1H3,(H,15,16)/b10-8+,14-9+
InChIKeyMKNGRJXQFNVLER-CNVSOXPZSA-N
MW260.32 g/mol
LogP3.16
Rot. Bonds4

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

N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6865134) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6865134
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cccs1)=C\c1ccco1
InChIInChI=1S/C13H12N2O2S/c1-10(8-11-4-2-6-17-11)9-14-15-13(16)12-5-3-7-18-12/h2-9H,1H3,(H,15,16)/b10-8+,14-9+
InChIKeyMKNGRJXQFNVLER-CNVSOXPZSA-N
XLogP3.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.16
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)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide (CID 6865134) is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide is CC(/C=N/NC(=O)c1cccs1)=C\c1ccco1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is MKNGRJXQFNVLER-CNVSOXPZSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-10(8-11-4-2-6-17-11)9-14-15-13(16)12-5-3-7-18-12/h2-9H,1H3,(H,15,16)/b10-8+,14-9+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 3.16, 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)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6865134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).