N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide

C13H17N3OS — CID 64829172

IUPACN-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C13H17N3OS/c1-9(14-4-5-15-10(2)17)11-7-13-12(16-8-11)3-6-18-13/h3,6-9,14H,4-5H2,1-2H3,(H,15,17)
InChIKeyUQJJWEAZLFLVNI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide

N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide (PubChem CID 64829172) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
PubChem CID64829172
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C13H17N3OS/c1-9(14-4-5-15-10(2)17)11-7-13-12(16-8-11)3-6-18-13/h3,6-9,14H,4-5H2,1-2H3,(H,15,17)
InChIKeyUQJJWEAZLFLVNI-UHFFFAOYSA-N
XLogP2.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide (CID 64829172) is N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide is CC(=O)NCCNC(C)c1cnc2ccsc2c1.
What is the InChIKey of N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide?
The InChIKey is UQJJWEAZLFLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(14-4-5-15-10(2)17)11-7-13-12(16-8-11)3-6-18-13/h3,6-9,14H,4-5H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide?
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide is sourced from PubChem (CID 64829172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).