2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid

C11H12N2O2S — CID 64828783

IUPAC2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
SMILESCC(NCC(=O)O)c1cnc2ccsc2c1
InChIInChI=1S/C11H12N2O2S/c1-7(12-6-11(14)15)8-4-10-9(13-5-8)2-3-16-10/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyJGKGHCNTXIVNTP-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.03
Rot. Bonds4

About 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid

2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid (PubChem CID 64828783) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid.

Molecular Properties

Compound Name2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
PubChem CID64828783
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
SMILESCC(NCC(=O)O)c1cnc2ccsc2c1
InChIInChI=1S/C11H12N2O2S/c1-7(12-6-11(14)15)8-4-10-9(13-5-8)2-3-16-10/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyJGKGHCNTXIVNTP-UHFFFAOYSA-N
XLogP2.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
CID 115712639
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
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
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
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374

Frequently Asked Questions

What is the IUPAC name of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid?
The IUPAC name of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid (CID 64828783) is 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid.
What is the SMILES notation for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid?
The canonical SMILES for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid is CC(NCC(=O)O)c1cnc2ccsc2c1.
What is the InChIKey of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid?
The InChIKey is JGKGHCNTXIVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(12-6-11(14)15)8-4-10-9(13-5-8)2-3-16-10/h2-5,7,12H,6H2,1H3,(H,14,15).
What are the key properties of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid?
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid has a molecular weight of 236.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid is sourced from PubChem (CID 64828783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).