5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide

C11H17N3O2S — CID 64975420

IUPAC5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C11H17N3O2S/c1-5-13-10(15)8-6(2)7(9(12)17-8)11(16)14(3)4/h5,12H2,1-4H3,(H,13,15)
InChIKeyUSPHOKCBEBVOQM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.09
Rot. Bonds3

About 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide

5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide (PubChem CID 64975420) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
PubChem CID64975420
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C11H17N3O2S/c1-5-13-10(15)8-6(2)7(9(12)17-8)11(16)14(3)4/h5,12H2,1-4H3,(H,13,15)
InChIKeyUSPHOKCBEBVOQM-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.09
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-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide (CID 64975420) is 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide is CCNC(=O)c1sc(N)c(C(=O)N(C)C)c1C.
What is the InChIKey of 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide?
The InChIKey is USPHOKCBEBVOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-5-13-10(15)8-6(2)7(9(12)17-8)11(16)14(3)4/h5,12H2,1-4H3,(H,13,15).
What are the key properties of 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide?
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 64975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).