3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one

C16H20N4O3S — CID 133471844

IUPAC3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(N3CCCS3(=O)=O)c2)c1=O
InChIInChI=1S/C16H20N4O3S/c1-2-19-9-7-17-15(16(19)21)18-12-13-5-3-6-14(11-13)20-8-4-10-24(20,22)23/h3,5-7,9,11H,2,4,8,10,12H2,1H3,(H,17,18)
InChIKeyZYXSENPXZPFHEZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.42
Rot. Bonds5

About 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one

3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one (PubChem CID 133471844) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
PubChem CID133471844
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(N3CCCS3(=O)=O)c2)c1=O
InChIInChI=1S/C16H20N4O3S/c1-2-19-9-7-17-15(16(19)21)18-12-13-5-3-6-14(11-13)20-8-4-10-24(20,22)23/h3,5-7,9,11H,2,4,8,10,12H2,1H3,(H,17,18)
InChIKeyZYXSENPXZPFHEZ-UHFFFAOYSA-N
XLogP1.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one (CID 133471844) is 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2cccc(N3CCCS3(=O)=O)c2)c1=O.
What is the InChIKey of 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The InChIKey is ZYXSENPXZPFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-19-9-7-17-15(16(19)21)18-12-13-5-3-6-14(11-13)20-8-4-10-24(20,22)23/h3,5-7,9,11H,2,4,8,10,12H2,1H3,(H,17,18).
What are the key properties of 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one?
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one has a molecular weight of 348.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 133471844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).