1-thieno[2,3-b]pyrazin-6-ylethanone

C8H6N2OS — CID 82410051

IUPAC1-thieno[2,3-b]pyrazin-6-ylethanone
SMILESCC(=O)c1cc2nccnc2s1
InChIInChI=1S/C8H6N2OS/c1-5(11)7-4-6-8(12-7)10-3-2-9-6/h2-4H,1H3
InChIKeyKVZIPOVKQUMDSQ-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.89
Rot. Bonds1

About 1-thieno[2,3-b]pyrazin-6-ylethanone

1-thieno[2,3-b]pyrazin-6-ylethanone (PubChem CID 82410051) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-thieno[2,3-b]pyrazin-6-ylethanone.

Molecular Properties

Compound Name1-thieno[2,3-b]pyrazin-6-ylethanone
PubChem CID82410051
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name1-thieno[2,3-b]pyrazin-6-ylethanone
SMILESCC(=O)c1cc2nccnc2s1
InChIInChI=1S/C8H6N2OS/c1-5(11)7-4-6-8(12-7)10-3-2-9-6/h2-4H,1H3
InChIKeyKVZIPOVKQUMDSQ-UHFFFAOYSA-N
XLogP1.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno[2,3-b]pyrazine-6-carboxylic acid
CID 7164578
2-Methyl-[1,3]thiazolo[4,5-c]pyridine
CID 640721
Thieno[3,2-b]pyridine-2-carbaldehyde
CID 13220435
3-Amino-2-carbamoylthienopyridine
CID 13793449
Thieno[2,3-b]pyrazine-6-carbaldehyde
CID 7537492
Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate
CID 79475050
Carbamoylthienopyridine
CID 22277729
7-Aminothieno[2,3-b]pyrazine-6-carbaldehyde
CID 25228189
2-Acetyl-3-aminothienopyridine
CID 154732162
4-Methyl-2-propyl-[1,3]thiazolo[4,5-c]pyridine
CID 146162010
1,1,1-Trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-2-one
CID 79872465
1,1,1-Trifluoro-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)propan-2-one
CID 79872638

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-b]pyrazin-6-ylethanone?
The IUPAC name of 1-thieno[2,3-b]pyrazin-6-ylethanone (CID 82410051) is 1-thieno[2,3-b]pyrazin-6-ylethanone.
What is the SMILES notation for 1-thieno[2,3-b]pyrazin-6-ylethanone?
The canonical SMILES for 1-thieno[2,3-b]pyrazin-6-ylethanone is CC(=O)c1cc2nccnc2s1.
What is the InChIKey of 1-thieno[2,3-b]pyrazin-6-ylethanone?
The InChIKey is KVZIPOVKQUMDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c1-5(11)7-4-6-8(12-7)10-3-2-9-6/h2-4H,1H3.
What are the key properties of 1-thieno[2,3-b]pyrazin-6-ylethanone?
1-thieno[2,3-b]pyrazin-6-ylethanone has a molecular weight of 178.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-b]pyrazin-6-ylethanone is sourced from PubChem (CID 82410051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).