N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine

C12H14N2O3S — CID 43488090

IUPACN-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc([N+](=O)[O-])o1)c1ccc(C)s1
InChIInChI=1S/C12H14N2O3S/c1-3-13-12(10-6-4-8(2)18-10)9-5-7-11(17-9)14(15)16/h4-7,12-13H,3H2,1-2H3
InChIKeyWGZHHSYQKDUTFT-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.26
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine

N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine (PubChem CID 43488090) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
PubChem CID43488090
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc([N+](=O)[O-])o1)c1ccc(C)s1
InChIInChI=1S/C12H14N2O3S/c1-3-13-12(10-6-4-8(2)18-10)9-5-7-11(17-9)14(15)16/h4-7,12-13H,3H2,1-2H3
InChIKeyWGZHHSYQKDUTFT-UHFFFAOYSA-N
XLogP3.26
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylthiophen-2-yl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 54952740
N-[(5-chlorothiophen-2-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43496935
N-[cyclopenten-1-yl-(5-nitrofuran-2-yl)methyl]ethanamine
CID 62080364
N-[(1-ethylimidazol-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine
CID 61317099
N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
CID 63020239
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488099
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
1-(5-methylthiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875775
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61346977
N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483960

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine (CID 43488090) is N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine is CCNC(c1ccc([N+](=O)[O-])o1)c1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine?
The InChIKey is WGZHHSYQKDUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-13-12(10-6-4-8(2)18-10)9-5-7-11(17-9)14(15)16/h4-7,12-13H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine?
N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).