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

C12H16N4OS — CID 63830446

IUPAC1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCC(C)n1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C12H16N4OS/c1-9(2)16-6-5-14-11(12(16)17)13-4-3-10-7-18-8-15-10/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyTZRIUKPQXYHBPA-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.94
Rot. Bonds5

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

1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (PubChem CID 63830446) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
PubChem CID63830446
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCC(C)n1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C12H16N4OS/c1-9(2)16-6-5-14-11(12(16)17)13-4-3-10-7-18-8-15-10/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyTZRIUKPQXYHBPA-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (CID 63830446) is 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is CC(C)n1ccnc(NCCc2cscn2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The InChIKey is TZRIUKPQXYHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(2)16-6-5-14-11(12(16)17)13-4-3-10-7-18-8-15-10/h5-9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63830446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).