ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate

C15H19NO2S2 — CID 63398487

IUPACethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C)s2)c(C(C)C)c1N
InChIInChI=1S/C15H19NO2S2/c1-5-18-15(17)14-12(16)11(8(2)3)13(20-14)10-7-6-9(4)19-10/h6-8H,5,16H2,1-4H3
InChIKeyWUEPIRRGVNKJJG-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.67
Rot. Bonds4

About ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate

ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate (PubChem CID 63398487) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
PubChem CID63398487
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Nameethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C)s2)c(C(C)C)c1N
InChIInChI=1S/C15H19NO2S2/c1-5-18-15(17)14-12(16)11(8(2)3)13(20-14)10-7-6-9(4)19-10/h6-8H,5,16H2,1-4H3
InChIKeyWUEPIRRGVNKJJG-UHFFFAOYSA-N
XLogP4.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate (CID 63398487) is ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(C)s2)c(C(C)C)c1N.
What is the InChIKey of ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The InChIKey is WUEPIRRGVNKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-5-18-15(17)14-12(16)11(8(2)3)13(20-14)10-7-6-9(4)19-10/h6-8H,5,16H2,1-4H3.
What are the key properties of ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate has a molecular weight of 309.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 63398487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).