3-amino-N-methylthiophene-2-carboxamide

C6H8N2OS — CID 10678477

IUPAC3-amino-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1N
InChIInChI=1S/C6H8N2OS/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9)
InChIKeyVSTOJEUDQYAUDL-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.69
Rot. Bonds1

About 3-amino-N-methylthiophene-2-carboxamide

3-amino-N-methylthiophene-2-carboxamide (PubChem CID 10678477) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-amino-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methylthiophene-2-carboxamide
PubChem CID10678477
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-amino-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1N
InChIInChI=1S/C6H8N2OS/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9)
InChIKeyVSTOJEUDQYAUDL-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methylthiophene-2-carboxamide (CID 10678477) is 3-amino-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-methylthiophene-2-carboxamide?
The InChIKey is VSTOJEUDQYAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-N-methylthiophene-2-carboxamide?
3-amino-N-methylthiophene-2-carboxamide has a molecular weight of 156.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 10678477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).