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

C12H18N2O3S — CID 64899541

IUPACmethyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCCN(CC)C(=O)c1c(N)sc(C(=O)OC)c1C
InChIInChI=1S/C12H18N2O3S/c1-5-14(6-2)11(15)8-7(3)9(12(16)17-4)18-10(8)13/h5-6,13H2,1-4H3
InChIKeyQUJSLIRNEXUYMQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.91
Rot. Bonds4

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

methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate (PubChem CID 64899541) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
PubChem CID64899541
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCCN(CC)C(=O)c1c(N)sc(C(=O)OC)c1C
InChIInChI=1S/C12H18N2O3S/c1-5-14(6-2)11(15)8-7(3)9(12(16)17-4)18-10(8)13/h5-6,13H2,1-4H3
InChIKeyQUJSLIRNEXUYMQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.91
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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Related Compounds

methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
methyl 2-[(3-amino-4-methylbenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1373885
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
ethyl 2-(3-chloropropanoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3416227
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 4771964
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate (CID 64899541) is methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate is CCN(CC)C(=O)c1c(N)sc(C(=O)OC)c1C.
What is the InChIKey of methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The InChIKey is QUJSLIRNEXUYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-14(6-2)11(15)8-7(3)9(12(16)17-4)18-10(8)13/h5-6,13H2,1-4H3.
What are the key properties of methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate?
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 64899541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).