ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C15H11F3N2O3S — CID 19571601

IUPACethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C15H11F3N2O3S/c1-2-22-14(21)12-11(19)10-7(8-4-3-5-23-8)6-9(15(16,17)18)20-13(10)24-12/h3-6H,2,19H2,1H3
InChIKeyJFWNUABDWJEJLV-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.33
Rot. Bonds3

About ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 19571601) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID19571601
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Nameethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C15H11F3N2O3S/c1-2-22-14(21)12-11(19)10-7(8-4-3-5-23-8)6-9(15(16,17)18)20-13(10)24-12/h3-6H,2,19H2,1H3
InChIKeyJFWNUABDWJEJLV-UHFFFAOYSA-N
XLogP4.33
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
CID 19571606
[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
CID 19571604
ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 69284092
ethyl 13-amino-11-(furan-2-yl)-15-thia-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
CID 1049198
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
4-(furan-2-yl)-3-[2-(5-methylpyrazol-1-yl)propanoylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19537392
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534117
4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19467671
3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4775990
3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 17024715
4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19465955

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 19571601) is ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is JFWNUABDWJEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-2-22-14(21)12-11(19)10-7(8-4-3-5-23-8)6-9(15(16,17)18)20-13(10)24-12/h3-6H,2,19H2,1H3.
What are the key properties of ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 356.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 19571601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).