3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H10F5N3OS — CID 39369077

IUPAC3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cc(F)ccc3F)c(N)c12
InChIInChI=1S/C16H10F5N3OS/c1-6-4-10(16(19,20)21)24-15-11(6)12(22)13(26-15)14(25)23-9-5-7(17)2-3-8(9)18/h2-5H,22H2,1H3,(H,23,25)
InChIKeyWFLHDSRVDQINQW-UHFFFAOYSA-N
MW387.33 g/mol
LogP4.74
Rot. Bonds2

About 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39369077) has the molecular formula C16H10F5N3OS and a molecular weight of 387.33 g/mol. Its IUPAC name is 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID39369077
Molecular FormulaC16H10F5N3OS
Molecular Weight387.33 g/mol
Exact Mass387.05
IUPAC Name3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cc(F)ccc3F)c(N)c12
InChIInChI=1S/C16H10F5N3OS/c1-6-4-10(16(19,20)21)24-15-11(6)12(22)13(26-15)14(25)23-9-5-7(17)2-3-8(9)18/h2-5H,22H2,1H3,(H,23,25)
InChIKeyWFLHDSRVDQINQW-UHFFFAOYSA-N
XLogP4.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 39369077) is 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cc(F)ccc3F)c(N)c12.
What is the InChIKey of 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WFLHDSRVDQINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3OS/c1-6-4-10(16(19,20)21)24-15-11(6)12(22)13(26-15)14(25)23-9-5-7(17)2-3-8(9)18/h2-5H,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 387.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 39369077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).