5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide

C12H20N4O2S — CID 103426230

IUPAC5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCCCN(C)C)c(C(N)=O)c1N
InChIInChI=1S/C12H20N4O2S/c1-7(17)10-9(13)8(11(14)18)12(19-10)15-5-4-6-16(2)3/h15H,4-6,13H2,1-3H3,(H2,14,18)
InChIKeyYODANBLNZBYXIF-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.00
Rot. Bonds7

About 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide

5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide (PubChem CID 103426230) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
PubChem CID103426230
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCCCN(C)C)c(C(N)=O)c1N
InChIInChI=1S/C12H20N4O2S/c1-7(17)10-9(13)8(11(14)18)12(19-10)15-5-4-6-16(2)3/h15H,4-6,13H2,1-3H3,(H2,14,18)
InChIKeyYODANBLNZBYXIF-UHFFFAOYSA-N
XLogP1.00
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide (CID 103426230) is 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide is CC(=O)c1sc(NCCCN(C)C)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide?
The InChIKey is YODANBLNZBYXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7(17)10-9(13)8(11(14)18)12(19-10)15-5-4-6-16(2)3/h15H,4-6,13H2,1-3H3,(H2,14,18).
What are the key properties of 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide?
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide is sourced from PubChem (CID 103426230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).