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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Related Compounds

3,4-dimethylthiophene-2-carboxamide
CID 140551630
4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride
CID 167734856
propanoyl 3-amino-4-methylthiophene-2-carboxylate
CID 175393544
3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid
CID 83971349
3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid
CID 18434686
3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid
CID 161477477
2-(3-amino-4-methylthiophen-2-yl)benzamide
CID 152648724
3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914665
3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid
CID 142693223
3-amino-4-(benzenesulfonyl)thiophene-2-carboxylic acid
CID 2778522
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797

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).