methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate

C14H13F2NO2S — CID 61313579

IUPACmethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
SMILESCCc1c(-c2c(F)cccc2F)sc(C(=O)OC)c1N
InChIInChI=1S/C14H13F2NO2S/c1-3-7-11(17)13(14(18)19-2)20-12(7)10-8(15)5-4-6-9(10)16/h4-6H,3,17H2,1-2H3
InChIKeyYUEPVZZTTKQWDF-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.62
Rot. Bonds3

About methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate

methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate (PubChem CID 61313579) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
PubChem CID61313579
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Namemethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
SMILESCCc1c(-c2c(F)cccc2F)sc(C(=O)OC)c1N
InChIInChI=1S/C14H13F2NO2S/c1-3-7-11(17)13(14(18)19-2)20-12(7)10-8(15)5-4-6-9(10)16/h4-6H,3,17H2,1-2H3
InChIKeyYUEPVZZTTKQWDF-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398484
ethyl 3-amino-5-(2-bromo-3-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 81499405
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
CID 61313379
methyl 3-amino-5-(2-bromo-6-fluorophenyl)-4-methylthiophene-2-carboxylate
CID 114560082
methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
CID 65239076
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398787
methyl 3-amino-5-(5-bromofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 61312977
methyl 3-amino-5-(3-chloro-4-methylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
CID 103402762
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
ethyl 3-amino-5-(3-bromo-4-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 107955531

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate (CID 61313579) is methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate is CCc1c(-c2c(F)cccc2F)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate?
The InChIKey is YUEPVZZTTKQWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-3-7-11(17)13(14(18)19-2)20-12(7)10-8(15)5-4-6-9(10)16/h4-6H,3,17H2,1-2H3.
What are the key properties of methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate?
methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate is sourced from PubChem (CID 61313579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).