5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide

C12H19N3O2S — CID 64975393

IUPAC5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C12H19N3O2S/c1-5-14-12(17)9-7(4)8(10(13)18-9)11(16)15-6(2)3/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHDFOCYPFYPTMIR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds4

About 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide

5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide (PubChem CID 64975393) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
PubChem CID64975393
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(N)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C12H19N3O2S/c1-5-14-12(17)9-7(4)8(10(13)18-9)11(16)15-6(2)3/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHDFOCYPFYPTMIR-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide 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

5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
CID 2233010
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide (CID 64975393) is 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide is CCNC(=O)c1sc(N)c(C(=O)NC(C)C)c1C.
What is the InChIKey of 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide?
The InChIKey is HDFOCYPFYPTMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-14-12(17)9-7(4)8(10(13)18-9)11(16)15-6(2)3/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide?
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.53, 4 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-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 64975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).