ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

C11H16N2O3S — CID 735026

IUPACethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C11H16N2O3S/c1-5-16-11(15)7-6(2)8(17-9(7)12)10(14)13(3)4/h5,12H2,1-4H3
InChIKeyVOFMVGKEJXTNCQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.52
Rot. Bonds3

About ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 735026) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID735026
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C11H16N2O3S/c1-5-16-11(15)7-6(2)8(17-9(7)12)10(14)13(3)4/h5,12H2,1-4H3
InChIKeyVOFMVGKEJXTNCQ-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
ethyl 5-(dimethylcarbamoyl)-2-[[4-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-4-oxobutanoyl]amino]-4-methylthiophene-3-carboxylate
CID 5143266
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
ethyl 5-(dimethylcarbamoyl)-2-(ethoxymethylideneamino)-4-methylthiophene-3-carboxylate
CID 54432745
ethyl 2-[(4-chlorobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 5244334
ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
ethyl 2-(3-chloropropanoylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3354966
ethyl 5-(dimethylcarbamoyl)-2-(heptanoylamino)-4-methylthiophene-3-carboxylate
CID 5191754
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]thiophene-3-carboxylate
CID 4108131
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 735026) is ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is VOFMVGKEJXTNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-5-16-11(15)7-6(2)8(17-9(7)12)10(14)13(3)4/h5,12H2,1-4H3.
What are the key properties of ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 735026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).