ethyl 2-ethyl-5-methylthiophene-3-carboxylate

C10H14O2S — CID 134970605

IUPACethyl 2-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1CC
InChIInChI=1S/C10H14O2S/c1-4-9-8(6-7(3)13-9)10(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyHKYANPMNMSFKQA-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.80
Rot. Bonds3

About ethyl 2-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 134970605) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 2-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-methylthiophene-3-carboxylate
PubChem CID134970605
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 2-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1CC
InChIInChI=1S/C10H14O2S/c1-4-9-8(6-7(3)13-9)10(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyHKYANPMNMSFKQA-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-ethyl-5-methylthiophene-3-carboxylate 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

ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
3-[2-carboxyethyl-(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]propanoic acid
CID 82310273
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
3-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-methylpropanoic acid
CID 82310398
ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
CID 114465520

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-methylthiophene-3-carboxylate (CID 134970605) is ethyl 2-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1CC.
What is the InChIKey of ethyl 2-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is HKYANPMNMSFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-9-8(6-7(3)13-9)10(11)12-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 198.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 134970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).