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

C17H18N2S — CID 64830727

IUPAC4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCCc1ccc(NC(C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C17H18N2S/c1-3-13-4-6-15(7-5-13)19-12(2)14-10-17-16(18-11-14)8-9-20-17/h4-12,19H,3H2,1-2H3
InChIKeyLVZVYMMDBVDHMK-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.03
Rot. Bonds4

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

4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64830727) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64830727
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCCc1ccc(NC(C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C17H18N2S/c1-3-13-4-6-15(7-5-13)19-12(2)14-10-17-16(18-11-14)8-9-20-17/h4-12,19H,3H2,1-2H3
InChIKeyLVZVYMMDBVDHMK-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64830727) is 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is CCc1ccc(NC(C)c2cnc3ccsc3c2)cc1.
What is the InChIKey of 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is LVZVYMMDBVDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-13-4-6-15(7-5-13)19-12(2)14-10-17-16(18-11-14)8-9-20-17/h4-12,19H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 282.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64830727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).