3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide

C12H17N5O3S — CID 106424949

IUPAC3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCc2noc(C)n2)c(OC)c1N
InChIInChI=1S/C12H17N5O3S/c1-6-16-7(17-20-6)4-5-15-12-9(19-3)8(13)10(21-12)11(18)14-2/h15H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyXCYMURFFZXXSIF-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.04
Rot. Bonds6

About 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide

3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide (PubChem CID 106424949) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
PubChem CID106424949
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCc2noc(C)n2)c(OC)c1N
InChIInChI=1S/C12H17N5O3S/c1-6-16-7(17-20-6)4-5-15-12-9(19-3)8(13)10(21-12)11(18)14-2/h15H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyXCYMURFFZXXSIF-UHFFFAOYSA-N
XLogP1.04
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
CID 106412803
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-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide
CID 103425144
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile
CID 114185637
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056
1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103424999
methyl 3-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106412817
3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide (CID 106424949) is 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide is CNC(=O)c1sc(NCCc2noc(C)n2)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide?
The InChIKey is XCYMURFFZXXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-6-16-7(17-20-6)4-5-15-12-9(19-3)8(13)10(21-12)11(18)14-2/h15H,4-5,13H2,1-3H3,(H,14,18).
What are the key properties of 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide?
3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide is sourced from PubChem (CID 106424949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).