2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide

C12H12N2O2S — CID 6886797

IUPAC2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccoc2C)s1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(17-8)7-13-14-12(15)11-5-6-16-9(11)2/h3-7H,1-2H3,(H,14,15)/b13-7+
InChIKeyXVROMXHMMIUPRJ-NTUHNPAUSA-N
MW248.31 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide (PubChem CID 6886797) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
PubChem CID6886797
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccoc2C)s1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(17-8)7-13-14-12(15)11-5-6-16-9(11)2/h3-7H,1-2H3,(H,14,15)/b13-7+
InChIKeyXVROMXHMMIUPRJ-NTUHNPAUSA-N
XLogP2.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.72
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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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5395064
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide (CID 6886797) is 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide is Cc1ccc(/C=N/NC(=O)c2ccoc2C)s1.
What is the InChIKey of 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The InChIKey is XVROMXHMMIUPRJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-4-10(17-8)7-13-14-12(15)11-5-6-16-9(11)2/h3-7H,1-2H3,(H,14,15)/b13-7+.
What are the key properties of 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6886797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).