3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid

C12H15N3O3S2 — CID 159779125

IUPAC3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1N.Cc1csc(C(N)=O)c1N
InChIInChI=1S/C6H8N2OS.C6H7NO2S/c2*1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H2,8,9);2H,7H2,1H3,(H,8,9)
InChIKeyNHDACDFAPVGLDC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.07
Rot. Bonds2

About 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid

3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid (PubChem CID 159779125) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid
PubChem CID159779125
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1N.Cc1csc(C(N)=O)c1N
InChIInChI=1S/C6H8N2OS.C6H7NO2S/c2*1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H2,8,9);2H,7H2,1H3,(H,8,9)
InChIKeyNHDACDFAPVGLDC-UHFFFAOYSA-N
XLogP2.07
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid (CID 159779125) is 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1N.Cc1csc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid?
The InChIKey is NHDACDFAPVGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.C6H7NO2S/c2*1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H2,8,9);2H,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid?
3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 159779125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).