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

C13H18N2O2S — CID 65355341

IUPAC5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc(N)c1C(=O)C(C)C
InChIInChI=1S/C13H18N2O2S/c1-6(2)10(16)9-7(3)11(18-12(9)14)13(17)15-8-4-5-8/h6,8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyRTQJRYFXVKLIQT-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.37
Rot. Bonds4

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

5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide (PubChem CID 65355341) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
PubChem CID65355341
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc(N)c1C(=O)C(C)C
InChIInChI=1S/C13H18N2O2S/c1-6(2)10(16)9-7(3)11(18-12(9)14)13(17)15-8-4-5-8/h6,8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyRTQJRYFXVKLIQT-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.37
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-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide (CID 65355341) is 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide is Cc1c(C(=O)NC2CC2)sc(N)c1C(=O)C(C)C.
What is the InChIKey of 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
The InChIKey is RTQJRYFXVKLIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-6(2)10(16)9-7(3)11(18-12(9)14)13(17)15-8-4-5-8/h6,8H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide?
5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide is sourced from PubChem (CID 65355341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).