(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone

C12H11NO3S — CID 67300732

IUPAC(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone
SMILESCC1OCc2sc(N)c(C(=O)c3ccco3)c21
InChIInChI=1S/C12H11NO3S/c1-6-9-8(5-16-6)17-12(13)10(9)11(14)7-3-2-4-15-7/h2-4,6H,5,13H2,1H3
InChIKeyRMKJVZWPIQEESK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.75
Rot. Bonds2

About (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone

(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone (PubChem CID 67300732) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone
PubChem CID67300732
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone
SMILESCC1OCc2sc(N)c(C(=O)c3ccco3)c21
InChIInChI=1S/C12H11NO3S/c1-6-9-8(5-16-6)17-12(13)10(9)11(14)7-3-2-4-15-7/h2-4,6H,5,13H2,1H3
InChIKeyRMKJVZWPIQEESK-UHFFFAOYSA-N
XLogP2.75
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone with MolForge

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Related Compounds

2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
CID 24772222
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
CID 21037073
(6-amino-2-pyridinyl)-(furan-2-yl)methanone
CID 131097138
furan-2-carboxamide;molecular hydrogen
CID 145259960
furan-2-carboxylic acid;methanamine
CID 82372767
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl(phosphanyl)methanone
CID 151549332
(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone
CID 91111452
[2-amino-3-(1-hexylpiperidin-4-yl)-1-benzothiophen-5-yl]-(furan-2-yl)methanone
CID 154449474
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
furan-2-carboxylic acid;methanol
CID 70611195

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone?
The IUPAC name of (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone (CID 67300732) is (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone is CC1OCc2sc(N)c(C(=O)c3ccco3)c21.
What is the InChIKey of (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone?
The InChIKey is RMKJVZWPIQEESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-6-9-8(5-16-6)17-12(13)10(9)11(14)7-3-2-4-15-7/h2-4,6H,5,13H2,1H3.
What are the key properties of (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone?
(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone has a molecular weight of 249.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 67300732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).