3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide

C12H19N5O2S — CID 103525005

IUPAC3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
SMILESCN(C)C(=O)c1sc(N2CCNCC2)c(C(N)=O)c1N
InChIInChI=1S/C12H19N5O2S/c1-16(2)11(19)9-8(13)7(10(14)18)12(20-9)17-5-3-15-4-6-17/h15H,3-6,13H2,1-2H3,(H2,14,18)
InChIKeyXXZBTKNWPTUDNN-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.46
Rot. Bonds3

About 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide

3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide (PubChem CID 103525005) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
PubChem CID103525005
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
SMILESCN(C)C(=O)c1sc(N2CCNCC2)c(C(N)=O)c1N
InChIInChI=1S/C12H19N5O2S/c1-16(2)11(19)9-8(13)7(10(14)18)12(20-9)17-5-3-15-4-6-17/h15H,3-6,13H2,1-2H3,(H2,14,18)
InChIKeyXXZBTKNWPTUDNN-UHFFFAOYSA-N
XLogP-0.46
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide (CID 103525005) is 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide is CN(C)C(=O)c1sc(N2CCNCC2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide?
The InChIKey is XXZBTKNWPTUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-16(2)11(19)9-8(13)7(10(14)18)12(20-9)17-5-3-15-4-6-17/h15H,3-6,13H2,1-2H3,(H2,14,18).
What are the key properties of 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide?
3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103525005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).