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

C9H13N3O2S — CID 64975341

IUPAC5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C9H13N3O2S/c1-3-12-9(14)6-4(2)5(7(10)13)8(11)15-6/h3,11H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyMJTCFIBGSAVOFM-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.49
Rot. Bonds3

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

5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide (PubChem CID 64975341) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
PubChem CID64975341
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C9H13N3O2S/c1-3-12-9(14)6-4(2)5(7(10)13)8(11)15-6/h3,11H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyMJTCFIBGSAVOFM-UHFFFAOYSA-N
XLogP0.49
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
5-acetyl-2-amino-4-methylthiophene-3-carboxamide
CID 1271564
2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
4-amino-N-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 722315
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide (CID 64975341) is 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide is CCNC(=O)c1sc(N)c(C(N)=O)c1C.
What is the InChIKey of 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is MJTCFIBGSAVOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-12-9(14)6-4(2)5(7(10)13)8(11)15-6/h3,11H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 64975341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).