ethyl 4-amino-5-methylthiophene-2-carboxylate

C8H11NO2S — CID 61310193

IUPACethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4H,3,9H2,1-2H3
InChIKeyHIRXFKRBIFWFSA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.82
Rot. Bonds2

About ethyl 4-amino-5-methylthiophene-2-carboxylate

ethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61310193) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61310193
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4H,3,9H2,1-2H3
InChIKeyHIRXFKRBIFWFSA-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316008
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
3-(4-amino-5-methylthiophene-2-carbonyl)oxy-2,2-dimethylpropanoic acid
CID 79620176
pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 55108746
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
2-(trifluoromethylsulfanyl)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 116617274
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 112643735
2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 82892123
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
CID 61117526

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-amino-5-methylthiophene-2-carboxylate (CID 61310193) is ethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-amino-5-methylthiophene-2-carboxylate is CCOC(=O)c1cc(N)c(C)s1.
What is the InChIKey of ethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is HIRXFKRBIFWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4H,3,9H2,1-2H3.
What are the key properties of ethyl 4-amino-5-methylthiophene-2-carboxylate?
ethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).