2-amino-1-thieno[3,2-b]pyridin-3-ylethanone

C9H8N2OS — CID 23198093

IUPAC2-amino-1-thieno[3,2-b]pyridin-3-ylethanone
SMILESNCC(=O)c1csc2cccnc12
InChIInChI=1S/C9H8N2OS/c10-4-7(12)6-5-13-8-2-1-3-11-9(6)8/h1-3,5H,4,10H2
InChIKeyIPDQKYVHAZJKAN-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone

2-amino-1-thieno[3,2-b]pyridin-3-ylethanone (PubChem CID 23198093) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-amino-1-thieno[3,2-b]pyridin-3-ylethanone
PubChem CID23198093
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-amino-1-thieno[3,2-b]pyridin-3-ylethanone
SMILESNCC(=O)c1csc2cccnc12
InChIInChI=1S/C9H8N2OS/c10-4-7(12)6-5-13-8-2-1-3-11-9(6)8/h1-3,5H,4,10H2
InChIKeyIPDQKYVHAZJKAN-UHFFFAOYSA-N
XLogP1.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl thieno[3,2-b]pyridine-3-carboxylate
CID 141156722
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 82411246
3-iodothieno[3,2-b]pyridine
CID 13220429
N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide
CID 58056138
2-amino-1-pyrimidin-2-ylethanone;hydrochloride
CID 67547518
4-(4-ethoxy-3-methoxyphenyl)-4-oxobutanehydrazide;4-(4-ethoxy-3-methoxyphenyl)-4-oxo-N-(2-oxo-2-thieno[3,2-b]pyridin-3-ylethyl)butanamide;thieno[3,2-b]pyridine-3-carboxylic acid
CID 159884598
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
3-(2-aminoacetyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 174414364
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
2-chlorothieno[3,2-b]pyridine-3-carboxamide
CID 144796857
2-amino-1-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)ethanone
CID 84672305

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone?
The IUPAC name of 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone (CID 23198093) is 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone.
What is the SMILES notation for 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone?
The canonical SMILES for 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone is NCC(=O)c1csc2cccnc12.
What is the InChIKey of 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone?
The InChIKey is IPDQKYVHAZJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-4-7(12)6-5-13-8-2-1-3-11-9(6)8/h1-3,5H,4,10H2.
What are the key properties of 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone?
2-amino-1-thieno[3,2-b]pyridin-3-ylethanone has a molecular weight of 192.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thieno[3,2-b]pyridin-3-ylethanone is sourced from PubChem (CID 23198093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).