diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate

C12H17NO4S — CID 101263964

IUPACdiethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
SMILESCCOC(=O)c1sc(NC)c(C)c1C(=O)OCC
InChIInChI=1S/C12H17NO4S/c1-5-16-11(14)8-7(3)10(13-4)18-9(8)12(15)17-6-2/h13H,5-6H2,1-4H3
InChIKeyWFZCANCSWIAWNU-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.45
Rot. Bonds5

About diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate

diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate (PubChem CID 101263964) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
PubChem CID101263964
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Namediethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
SMILESCCOC(=O)c1sc(NC)c(C)c1C(=O)OCC
InChIInChI=1S/C12H17NO4S/c1-5-16-11(14)8-7(3)10(13-4)18-9(8)12(15)17-6-2/h13H,5-6H2,1-4H3
InChIKeyWFZCANCSWIAWNU-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
ethyl 3-amino-4-cyano-5-(methylamino)thiophene-2-carboxylate
CID 103424239
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424237
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2171781
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5070990
diethyl 5-(butoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 19172792
ethyl 5-acetyl-2-[[4-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoyl]amino]-4-methylthiophene-3-carboxylate
CID 3496164
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559
ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
CID 67428223
ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
CID 153387772

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate?
The IUPAC name of diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate (CID 101263964) is diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate is CCOC(=O)c1sc(NC)c(C)c1C(=O)OCC.
What is the InChIKey of diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate?
The InChIKey is WFZCANCSWIAWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-5-16-11(14)8-7(3)10(13-4)18-9(8)12(15)17-6-2/h13H,5-6H2,1-4H3.
What are the key properties of diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate?
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate has a molecular weight of 271.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate is sourced from PubChem (CID 101263964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).