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

C13H16N4OS — CID 55175222

IUPAC1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one
SMILESCc1csc(CCNc2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-11(16-9)4-5-14-12-13(18)17(7-6-15-12)10-2-3-10/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyVZIVEMPTXOECDP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.00
Rot. Bonds5

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

1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one (PubChem CID 55175222) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one
PubChem CID55175222
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one
SMILESCc1csc(CCNc2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-11(16-9)4-5-14-12-13(18)17(7-6-15-12)10-2-3-10/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyVZIVEMPTXOECDP-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one (CID 55175222) is 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one is Cc1csc(CCNc2nccn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one?
The InChIKey is VZIVEMPTXOECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-8-19-11(16-9)4-5-14-12-13(18)17(7-6-15-12)10-2-3-10/h6-8,10H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one has a molecular weight of 276.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 55175222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).