methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate

C9H13NO2S — CID 597615

IUPACmethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(N)c1C(=O)OC
InChIInChI=1S/C9H13NO2S/c1-4-6-5(2)13-8(10)7(6)9(11)12-3/h4,10H2,1-3H3
InChIKeyODDNCALHGKYZJB-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.99
Rot. Bonds2

About methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate

methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 597615) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID597615
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Namemethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(N)c1C(=O)OC
InChIInChI=1S/C9H13NO2S/c1-4-6-5(2)13-8(10)7(6)9(11)12-3/h4,10H2,1-3H3
InChIKeyODDNCALHGKYZJB-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate (CID 597615) is methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate is CCc1c(C)sc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is ODDNCALHGKYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-6-5(2)13-8(10)7(6)9(11)12-3/h4,10H2,1-3H3.
What are the key properties of methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate?
methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 597615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).