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

C10H11N5O2S — CID 114185637

IUPAC3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile
SMILESCOc1c(NCc2noc(C)n2)sc(C#N)c1N
InChIInChI=1S/C10H11N5O2S/c1-5-14-7(15-17-5)4-13-10-9(16-2)8(12)6(3-11)18-10/h13H,4,12H2,1-2H3
InChIKeyNYIGKEXBDMVSNZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.51
Rot. Bonds4

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

3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile (PubChem CID 114185637) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile
PubChem CID114185637
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile
SMILESCOc1c(NCc2noc(C)n2)sc(C#N)c1N
InChIInChI=1S/C10H11N5O2S/c1-5-14-7(15-17-5)4-13-10-9(16-2)8(12)6(3-11)18-10/h13H,4,12H2,1-2H3
InChIKeyNYIGKEXBDMVSNZ-UHFFFAOYSA-N
XLogP1.51
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
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-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197
methyl 3-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106412817
3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106424949
3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile
CID 103426135
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
CID 106393181
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
4,5-dimethoxy-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2-diamine
CID 106393136
3-amino-4-methoxy-5-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-2-carbonitrile
CID 106029415

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile (CID 114185637) is 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile is COc1c(NCc2noc(C)n2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile?
The InChIKey is NYIGKEXBDMVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-5-14-7(15-17-5)4-13-10-9(16-2)8(12)6(3-11)18-10/h13H,4,12H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile?
3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile has a molecular weight of 265.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carbonitrile is sourced from PubChem (CID 114185637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).