1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one

C13H16N4O2S — CID 22969718

IUPAC1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCc2cncs2)c1=O
InChIInChI=1S/C13H16N4O2S/c1-3-11(9(2)18)17-5-4-15-12(13(17)19)16-7-10-6-14-8-20-10/h4-6,8,11H,3,7H2,1-2H3,(H,15,16)
InChIKeyJFMIXWPEJCMOIT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one

1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one (PubChem CID 22969718) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
PubChem CID22969718
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCc2cncs2)c1=O
InChIInChI=1S/C13H16N4O2S/c1-3-11(9(2)18)17-5-4-15-12(13(17)19)16-7-10-6-14-8-20-10/h4-6,8,11H,3,7H2,1-2H3,(H,15,16)
InChIKeyJFMIXWPEJCMOIT-UHFFFAOYSA-N
XLogP1.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969698
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate
CID 59909392
N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
CID 106277774
3-methyl-4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 81065935
[N-ethanimidoyl-C-[3-[[4-[(2S)-1-ethoxy-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]propyl]carbonimidoyl]oxidanium
CID 142039106
[3-imino-1-[[4-[(2S)-1-[[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]butan-2-ylidene]azanide
CID 142038970

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one (CID 22969718) is 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCc2cncs2)c1=O.
What is the InChIKey of 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one?
The InChIKey is JFMIXWPEJCMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-11(9(2)18)17-5-4-15-12(13(17)19)16-7-10-6-14-8-20-10/h4-6,8,11H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one?
1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 22969718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).