1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

C14H18N4O2S — CID 22969693

IUPAC1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NC(C)c2cscn2)c1=O
InChIInChI=1S/C14H18N4O2S/c1-4-12(10(3)19)18-6-5-15-13(14(18)20)17-9(2)11-7-21-8-16-11/h5-9,12H,4H2,1-3H3,(H,15,17)
InChIKeyLVUINCWRRFLTLB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.41
Rot. Bonds6

About 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (PubChem CID 22969693) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
PubChem CID22969693
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NC(C)c2cscn2)c1=O
InChIInChI=1S/C14H18N4O2S/c1-4-12(10(3)19)18-6-5-15-13(14(18)20)17-9(2)11-7-21-8-16-11/h5-9,12H,4H2,1-3H3,(H,15,17)
InChIKeyLVUINCWRRFLTLB-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-Methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 55156225
1-Tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 55261233
1-Propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 55261427
1-Propyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 55261621
1-(2-Methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
CID 55261811
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 61687516
3-[(2-Methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62940210
3-[2-(4-Methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 63241948
1-Cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
CID 63830277
1-Propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
CID 63830446
1-Cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831020
1-Methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (CID 22969693) is 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is CCC(C(C)=O)n1ccnc(NC(C)c2cscn2)c1=O.
What is the InChIKey of 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The InChIKey is LVUINCWRRFLTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-12(10(3)19)18-6-5-15-13(14(18)20)17-9(2)11-7-21-8-16-11/h5-9,12H,4H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
1-(2-oxopentan-3-yl)-3-[1-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.41, 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-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 22969693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).