diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate

C11H13ClO4S — CID 155671928

IUPACdiethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(Cl)c(C(=O)OCC)c1C
InChIInChI=1S/C11H13ClO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5H2,1-3H3
InChIKeyUEZOAAGWNRKFQZ-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.06
Rot. Bonds4

About diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate

diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate (PubChem CID 155671928) has the molecular formula C11H13ClO4S and a molecular weight of 276.74 g/mol. Its IUPAC name is diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
PubChem CID155671928
Molecular FormulaC11H13ClO4S
Molecular Weight276.74 g/mol
Exact Mass276.02
IUPAC Namediethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(Cl)c(C(=O)OCC)c1C
InChIInChI=1S/C11H13ClO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5H2,1-3H3
InChIKeyUEZOAAGWNRKFQZ-UHFFFAOYSA-N
XLogP3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate 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

diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
diethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 4564046
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
CID 102589254
ethyl 5-amino-2-chloro-4-cyanothiophene-3-carboxylate
CID 171935299
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
CID 101263964
diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1115915
diethyl 5-[[2-(2-chlorophenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 994795
diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2171781
diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5070990
diethyl 5-(butoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 19172792

Frequently Asked Questions

What is the IUPAC name of diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate (CID 155671928) is diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(Cl)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is UEZOAAGWNRKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5H2,1-3H3.
What are the key properties of diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 276.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 155671928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).