5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide

C10H14N2O2S — CID 65354992

IUPAC5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(N)c1C(=O)C(C)C
InChIInChI=1S/C10H14N2O2S/c1-4(2)7(13)6-5(3)8(9(11)14)15-10(6)12/h4H,12H2,1-3H3,(H2,11,14)
InChIKeyROJNKARJCMURFP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.58
Rot. Bonds3

About 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide

5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide (PubChem CID 65354992) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
PubChem CID65354992
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(N)c1C(=O)C(C)C
InChIInChI=1S/C10H14N2O2S/c1-4(2)7(13)6-5(3)8(9(11)14)15-10(6)12/h4H,12H2,1-3H3,(H2,11,14)
InChIKeyROJNKARJCMURFP-UHFFFAOYSA-N
XLogP1.58
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The IUPAC name of 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide (CID 65354992) is 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The canonical SMILES for 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide is Cc1c(C(N)=O)sc(N)c1C(=O)C(C)C.
What is the InChIKey of 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The InChIKey is ROJNKARJCMURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4(2)7(13)6-5(3)8(9(11)14)15-10(6)12/h4H,12H2,1-3H3,(H2,11,14).
What are the key properties of 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide is sourced from PubChem (CID 65354992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).