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

C11H14N6O3S — CID 103506882

IUPAC3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCc2nc(C)no2)c(C(N)=O)c1N
InChIInChI=1S/C11H14N6O3S/c1-4-16-5(20-17-4)3-15-11-6(9(13)18)7(12)8(21-11)10(19)14-2/h15H,3,12H2,1-2H3,(H2,13,18)(H,14,19)
InChIKeyBFSOOWVNKPBQRU-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.09
Rot. Bonds5

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

3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide (PubChem CID 103506882) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
PubChem CID103506882
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCc2nc(C)no2)c(C(N)=O)c1N
InChIInChI=1S/C11H14N6O3S/c1-4-16-5(20-17-4)3-15-11-6(9(13)18)7(12)8(21-11)10(19)14-2/h15H,3,12H2,1-2H3,(H2,13,18)(H,14,19)
InChIKeyBFSOOWVNKPBQRU-UHFFFAOYSA-N
XLogP0.09
TPSA149.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103506863
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617029
4-amino-5-(cyclopropanecarbonyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-3-carbonitrile
CID 103506876
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103420269
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103506866
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide (CID 103506882) is 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide is CNC(=O)c1sc(NCc2nc(C)no2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide?
The InChIKey is BFSOOWVNKPBQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-4-16-5(20-17-4)3-15-11-6(9(13)18)7(12)8(21-11)10(19)14-2/h15H,3,12H2,1-2H3,(H2,13,18)(H,14,19).
What are the key properties of 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide?
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide has a molecular weight of 310.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103506882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).