5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate

C11H13N3O3S2 — CID 158503805

IUPAC5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N)s1.NC(=O)c1ccc(N)s1
InChIInChI=1S/C6H7NO2S.C5H6N2OS/c1-9-6(8)4-2-3-5(7)10-4;6-4-2-1-3(9-4)5(7)8/h2-3H,7H2,1H3;1-2H,6H2,(H2,7,8)
InChIKeyHKFNKNYUIZQVLZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.55
Rot. Bonds2

About 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate

5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate (PubChem CID 158503805) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
PubChem CID158503805
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N)s1.NC(=O)c1ccc(N)s1
InChIInChI=1S/C6H7NO2S.C5H6N2OS/c1-9-6(8)4-2-3-5(7)10-4;6-4-2-1-3(9-4)5(7)8/h2-3H,7H2,1H3;1-2H,6H2,(H2,7,8)
InChIKeyHKFNKNYUIZQVLZ-UHFFFAOYSA-N
XLogP1.55
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate?
The IUPAC name of 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate (CID 158503805) is 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate.
What is the SMILES notation for 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate?
The canonical SMILES for 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate is COC(=O)c1ccc(N)s1.NC(=O)c1ccc(N)s1.
What is the InChIKey of 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate?
The InChIKey is HKFNKNYUIZQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.C5H6N2OS/c1-9-6(8)4-2-3-5(7)10-4;6-4-2-1-3(9-4)5(7)8/h2-3H,7H2,1H3;1-2H,6H2,(H2,7,8).
What are the key properties of 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate?
5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate has a molecular weight of 299.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate is sourced from PubChem (CID 158503805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).