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

C10H14N2O3S — CID 607757

IUPACmethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-6(10(14)15-4)8(11)16-7(5)9(13)12(2)3/h11H2,1-4H3
InChIKeyWDWQGNNCVALKRI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.13
Rot. Bonds2

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

methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 607757) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID607757
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-6(10(14)15-4)8(11)16-7(5)9(13)12(2)3/h11H2,1-4H3
InChIKeyWDWQGNNCVALKRI-UHFFFAOYSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 607757) is methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is COC(=O)c1c(N)sc(C(=O)N(C)C)c1C.
What is the InChIKey of methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is WDWQGNNCVALKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5-6(10(14)15-4)8(11)16-7(5)9(13)12(2)3/h11H2,1-4H3.
What are the key properties of methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 607757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).