2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate

C8H11NO3S — CID 61316008

IUPAC2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCO)cc1N
InChIInChI=1S/C8H11NO3S/c1-5-6(9)4-7(13-5)8(11)12-3-2-10/h4,10H,2-3,9H2,1H3
InChIKeyLKOIIUWZKJEPLG-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.79
Rot. Bonds3

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

2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61316008) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61316008
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCO)cc1N
InChIInChI=1S/C8H11NO3S/c1-5-6(9)4-7(13-5)8(11)12-3-2-10/h4,10H,2-3,9H2,1H3
InChIKeyLKOIIUWZKJEPLG-UHFFFAOYSA-N
XLogP0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate (CID 61316008) is 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCCO)cc1N.
What is the InChIKey of 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is LKOIIUWZKJEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-5-6(9)4-7(13-5)8(11)12-3-2-10/h4,10H,2-3,9H2,1H3.
What are the key properties of 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate?
2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).