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

C15H21N3OS — CID 115712639

IUPACN,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
SMILESCCN(CC)C(=O)CNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H21N3OS/c1-4-18(5-2)15(19)10-16-11(3)12-8-14-13(17-9-12)6-7-20-14/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyWLBSTQAARKJVGK-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.82
Rot. Bonds6

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

N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide (PubChem CID 115712639) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
PubChem CID115712639
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
SMILESCCN(CC)C(=O)CNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H21N3OS/c1-4-18(5-2)15(19)10-16-11(3)12-8-14-13(17-9-12)6-7-20-14/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyWLBSTQAARKJVGK-UHFFFAOYSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide
CID 115889391
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
CID 97230239
2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 115359066
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 103789089

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide (CID 115712639) is N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide is CCN(CC)C(=O)CNC(C)c1cnc2ccsc2c1.
What is the InChIKey of N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide?
The InChIKey is WLBSTQAARKJVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-18(5-2)15(19)10-16-11(3)12-8-14-13(17-9-12)6-7-20-14/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide?
N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide is sourced from PubChem (CID 115712639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).