2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone

C9H8N4OS — CID 116575743

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone
SMILESNc1nc(CC(=O)c2cnccn2)cs1
InChIInChI=1S/C9H8N4OS/c10-9-13-6(5-15-9)3-8(14)7-4-11-1-2-12-7/h1-2,4-5H,3H2,(H2,10,13)
InChIKeyGVROPQHEXRNTJK-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.94
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone

2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone (PubChem CID 116575743) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone
PubChem CID116575743
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone
SMILESNc1nc(CC(=O)c2cnccn2)cs1
InChIInChI=1S/C9H8N4OS/c10-9-13-6(5-15-9)3-8(14)7-4-11-1-2-12-7/h1-2,4-5H,3H2,(H2,10,13)
InChIKeyGVROPQHEXRNTJK-UHFFFAOYSA-N
XLogP0.94
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 116575594
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
CID 116575719
2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669471
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
CID 64770824
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
CID 116575762

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone (CID 116575743) is 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone is Nc1nc(CC(=O)c2cnccn2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone?
The InChIKey is GVROPQHEXRNTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-9-13-6(5-15-9)3-8(14)7-4-11-1-2-12-7/h1-2,4-5H,3H2,(H2,10,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone has a molecular weight of 220.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone is sourced from PubChem (CID 116575743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).