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

C12H13NO2S2 — CID 711175

IUPACethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)s2)csc1N
InChIInChI=1S/C12H13NO2S2/c1-3-15-12(14)10-8(6-16-11(10)13)9-5-4-7(2)17-9/h4-6H,3,13H2,1-2H3
InChIKeyOCXFDSDTIGSDOV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.54
Rot. Bonds3

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

ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate (PubChem CID 711175) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
PubChem CID711175
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Nameethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)s2)csc1N
InChIInChI=1S/C12H13NO2S2/c1-3-15-12(14)10-8(6-16-11(10)13)9-5-4-7(2)17-9/h4-6H,3,13H2,1-2H3
InChIKeyOCXFDSDTIGSDOV-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate (CID 711175) is ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)s2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate?
The InChIKey is OCXFDSDTIGSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-15-12(14)10-8(6-16-11(10)13)9-5-4-7(2)17-9/h4-6H,3,13H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate?
ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate has a molecular weight of 267.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 711175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).