2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C17H18N2S — CID 64829551

IUPAC2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1ccc(C)c(NC(C)c2cnc3ccsc3c2)c1
InChIInChI=1S/C17H18N2S/c1-11-4-5-12(2)16(8-11)19-13(3)14-9-17-15(18-10-14)6-7-20-17/h4-10,13,19H,1-3H3
InChIKeyWUXGCYXRMWTTDY-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.09
Rot. Bonds3

About 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64829551) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64829551
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1ccc(C)c(NC(C)c2cnc3ccsc3c2)c1
InChIInChI=1S/C17H18N2S/c1-11-4-5-12(2)16(8-11)19-13(3)14-9-17-15(18-10-14)6-7-20-17/h4-10,13,19H,1-3H3
InChIKeyWUXGCYXRMWTTDY-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64829551) is 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is Cc1ccc(C)c(NC(C)c2cnc3ccsc3c2)c1.
What is the InChIKey of 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is WUXGCYXRMWTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-4-5-12(2)16(8-11)19-13(3)14-9-17-15(18-10-14)6-7-20-17/h4-10,13,19H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 282.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64829551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).