3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C19H12F3N3OS2 — CID 1003440

IUPAC3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C19H12F3N3OS2/c20-19(21,22)10-3-5-11(6-4-10)24-17(26)16-15(23)12-7-8-13(25-18(12)28-16)14-2-1-9-27-14/h1-9H,23H2,(H,24,26)
InChIKeyMWYOEPKLGGYWEA-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.88
Rot. Bonds3

About 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003440) has the molecular formula C19H12F3N3OS2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003440
Molecular FormulaC19H12F3N3OS2
Molecular Weight419.45 g/mol
Exact Mass419.04
IUPAC Name3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C19H12F3N3OS2/c20-19(21,22)10-3-5-11(6-4-10)24-17(26)16-15(23)12-7-8-13(25-18(12)28-16)14-2-1-9-27-14/h1-9H,23H2,(H,24,26)
InChIKeyMWYOEPKLGGYWEA-UHFFFAOYSA-N
XLogP5.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 1003440) is 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MWYOEPKLGGYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS2/c20-19(21,22)10-3-5-11(6-4-10)24-17(26)16-15(23)12-7-8-13(25-18(12)28-16)14-2-1-9-27-14/h1-9H,23H2,(H,24,26).
What are the key properties of 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).