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

C15H11F3N2O2S2 — CID 1068108

IUPACethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H11F3N2O2S2/c1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h3-6H,2,19H2,1H3
InChIKeyJRWHOUVTUVBFIT-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.80
Rot. Bonds3

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

ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1068108) has the molecular formula C15H11F3N2O2S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1068108
Molecular FormulaC15H11F3N2O2S2
Molecular Weight372.39 g/mol
Exact Mass372.02
IUPAC Nameethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H11F3N2O2S2/c1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h3-6H,2,19H2,1H3
InChIKeyJRWHOUVTUVBFIT-UHFFFAOYSA-N
XLogP4.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 1068108) is ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is JRWHOUVTUVBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S2/c1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h3-6H,2,19H2,1H3.
What are the key properties of ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 372.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1068108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).