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

C13H19N3O2S — CID 103423685

IUPAC4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C13H19N3O2S/c1-6(2)10(17)11-9(14)8(12(18)15-3)13(19-11)16-7-4-5-7/h6-7,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyYTKWCGTXYZRGKO-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.10
Rot. Bonds5

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

4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide (PubChem CID 103423685) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
PubChem CID103423685
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C13H19N3O2S/c1-6(2)10(17)11-9(14)8(12(18)15-3)13(19-11)16-7-4-5-7/h6-7,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyYTKWCGTXYZRGKO-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide (CID 103423685) is 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide is CNC(=O)c1c(NC2CC2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The InChIKey is YTKWCGTXYZRGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-6(2)10(17)11-9(14)8(12(18)15-3)13(19-11)16-7-4-5-7/h6-7,16H,4-5,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide is sourced from PubChem (CID 103423685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).