2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C16H15FN2S — CID 64829176

IUPAC2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1ccc(NC(C)c2cnc3ccsc3c2)c(F)c1
InChIInChI=1S/C16H15FN2S/c1-10-3-4-14(13(17)7-10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyIROJYBDRPOMVSE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.92
Rot. Bonds3

About 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64829176) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64829176
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1ccc(NC(C)c2cnc3ccsc3c2)c(F)c1
InChIInChI=1S/C16H15FN2S/c1-10-3-4-14(13(17)7-10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyIROJYBDRPOMVSE-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64829176) is 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is Cc1ccc(NC(C)c2cnc3ccsc3c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is IROJYBDRPOMVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-10-3-4-14(13(17)7-10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 286.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64829176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).