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

C12H13NO2S2 — CID 79807771

IUPACethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cscc2C)cc1N
InChIInChI=1S/C12H13NO2S2/c1-3-15-12(14)11-9(13)4-10(17-11)8-6-16-5-7(8)2/h4-6H,3,13H2,1-2H3
InChIKeyNGNMGWSRGWZIPG-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.54
Rot. Bonds3

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

ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate (PubChem CID 79807771) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
PubChem CID79807771
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Nameethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cscc2C)cc1N
InChIInChI=1S/C12H13NO2S2/c1-3-15-12(14)11-9(13)4-10(17-11)8-6-16-5-7(8)2/h4-6H,3,13H2,1-2H3
InChIKeyNGNMGWSRGWZIPG-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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Related Compounds

ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43332711
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 144715507
ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
CID 116647754
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate
CID 116687017

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate (CID 79807771) is ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2cscc2C)cc1N.
What is the InChIKey of ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate?
The InChIKey is NGNMGWSRGWZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-15-12(14)11-9(13)4-10(17-11)8-6-16-5-7(8)2/h4-6H,3,13H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate?
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-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 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 79807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).