3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H14F3N3O2S2 — CID 1003446

IUPAC3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N
InChIInChI=1S/C20H14F3N3O2S2/c1-28-14-7-4-10(20(21,22)23)9-13(14)25-18(27)17-16(24)11-5-6-12(26-19(11)30-17)15-3-2-8-29-15/h2-9H,24H2,1H3,(H,25,27)
InChIKeyFDXSHPYFHMBWJI-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.89
Rot. Bonds4

About 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003446) has the molecular formula C20H14F3N3O2S2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003446
Molecular FormulaC20H14F3N3O2S2
Molecular Weight449.48 g/mol
Exact Mass449.05
IUPAC Name3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N
InChIInChI=1S/C20H14F3N3O2S2/c1-28-14-7-4-10(20(21,22)23)9-13(14)25-18(27)17-16(24)11-5-6-12(26-19(11)30-17)15-3-2-8-29-15/h2-9H,24H2,1H3,(H,25,27)
InChIKeyFDXSHPYFHMBWJI-UHFFFAOYSA-N
XLogP5.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1003446) is 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N.
What is the InChIKey of 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FDXSHPYFHMBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S2/c1-28-14-7-4-10(20(21,22)23)9-13(14)25-18(27)17-16(24)11-5-6-12(26-19(11)30-17)15-3-2-8-29-15/h2-9H,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).