5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide

C13H19N3O2S — CID 103418844

IUPAC5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCC(C)CC2)c(C(N)=O)c1N
InChIInChI=1S/C13H19N3O2S/c1-7-3-5-16(6-4-7)13-9(12(15)18)10(14)11(19-13)8(2)17/h7H,3-6,14H2,1-2H3,(H2,15,18)
InChIKeyRVYOVEYNWXTJDJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.87
Rot. Bonds3

About 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide

5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 103418844) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
PubChem CID103418844
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCC(C)CC2)c(C(N)=O)c1N
InChIInChI=1S/C13H19N3O2S/c1-7-3-5-16(6-4-7)13-9(12(15)18)10(14)11(19-13)8(2)17/h7H,3-6,14H2,1-2H3,(H2,15,18)
InChIKeyRVYOVEYNWXTJDJ-UHFFFAOYSA-N
XLogP1.87
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 103422547
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
methyl 5-acetyl-4-amino-2-(3,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103507212
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506307
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide (CID 103418844) is 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide is CC(=O)c1sc(N2CCC(C)CC2)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is RVYOVEYNWXTJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-7-3-5-16(6-4-7)13-9(12(15)18)10(14)11(19-13)8(2)17/h7H,3-6,14H2,1-2H3,(H2,15,18).
What are the key properties of 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide?
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103418844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).