ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate

C13H11F2NO2S — CID 43155562

IUPACethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(F)cc(F)c2)cc1N
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)12-10(16)6-11(19-12)7-3-8(14)5-9(15)4-7/h3-6H,2,16H2,1H3
InChIKeyGPTYBIFKIANEQD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.45
Rot. Bonds3

About ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate

ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate (PubChem CID 43155562) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
PubChem CID43155562
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Nameethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(F)cc(F)c2)cc1N
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)12-10(16)6-11(19-12)7-3-8(14)5-9(15)4-7/h3-6H,2,16H2,1H3
InChIKeyGPTYBIFKIANEQD-UHFFFAOYSA-N
XLogP3.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43332711
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
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-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 144715507
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate (CID 43155562) is ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2cc(F)cc(F)c2)cc1N.
What is the InChIKey of ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate?
The InChIKey is GPTYBIFKIANEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-2-18-13(17)12-10(16)6-11(19-12)7-3-8(14)5-9(15)4-7/h3-6H,2,16H2,1H3.
What are the key properties of ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43155562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).