1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone

C11H14N4O3S — CID 106412803

IUPAC1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCc2noc(C)n2)sc(C(C)=O)c1N
InChIInChI=1S/C11H14N4O3S/c1-5(16)10-8(12)9(17-3)11(19-10)13-4-7-14-6(2)18-15-7/h13H,4,12H2,1-3H3
InChIKeyNREVYTINOIZQEY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.85
Rot. Bonds5

About 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone

1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone (PubChem CID 106412803) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
PubChem CID106412803
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCc2noc(C)n2)sc(C(C)=O)c1N
InChIInChI=1S/C11H14N4O3S/c1-5(16)10-8(12)9(17-3)11(19-10)13-4-7-14-6(2)18-15-7/h13H,4,12H2,1-3H3
InChIKeyNREVYTINOIZQEY-UHFFFAOYSA-N
XLogP1.85
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone with MolForge

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Related Compounds

ethyl 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carboxylate
CID 106412840
1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]propan-1-one
CID 106412810
3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile
CID 114185637
3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106424949
methyl 3-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106412817
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
CID 103432141
ethyl 5-acetyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106411446
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]ethanone
CID 114102753
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062
1-[3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103507754
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone (CID 106412803) is 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone is COc1c(NCc2noc(C)n2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone?
The InChIKey is NREVYTINOIZQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-5(16)10-8(12)9(17-3)11(19-10)13-4-7-14-6(2)18-15-7/h13H,4,12H2,1-3H3.
What are the key properties of 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone has a molecular weight of 282.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 106412803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).