4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid

C9H10N2O3S — CID 82376637

IUPAC4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(=O)N1CCNc2cc(C(=O)O)sc21
InChIInChI=1S/C9H10N2O3S/c1-5(12)11-3-2-10-6-4-7(9(13)14)15-8(6)11/h4,10H,2-3H2,1H3,(H,13,14)
InChIKeyOVECXPNWRWRBPP-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.22
Rot. Bonds1

About 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid

4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 82376637) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID82376637
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(=O)N1CCNc2cc(C(=O)O)sc21
InChIInChI=1S/C9H10N2O3S/c1-5(12)11-3-2-10-6-4-7(9(13)14)15-8(6)11/h4,10H,2-3H2,1H3,(H,13,14)
InChIKeyOVECXPNWRWRBPP-UHFFFAOYSA-N
XLogP1.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid (CID 82376637) is 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid is CC(=O)N1CCNc2cc(C(=O)O)sc21.
What is the InChIKey of 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is OVECXPNWRWRBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5(12)11-3-2-10-6-4-7(9(13)14)15-8(6)11/h4,10H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 82376637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).