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

C13H18N4OS — CID 63241948

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1csc(CCNc2nccn(C(C)C)c2=O)n1
InChIInChI=1S/C13H18N4OS/c1-9(2)17-7-6-15-12(13(17)18)14-5-4-11-16-10(3)8-19-11/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyHRSAWLBOZKHSJB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.24
Rot. Bonds5

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

3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 63241948) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID63241948
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1csc(CCNc2nccn(C(C)C)c2=O)n1
InChIInChI=1S/C13H18N4OS/c1-9(2)17-7-6-15-12(13(17)18)14-5-4-11-16-10(3)8-19-11/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyHRSAWLBOZKHSJB-UHFFFAOYSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (CID 63241948) is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one is Cc1csc(CCNc2nccn(C(C)C)c2=O)n1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is HRSAWLBOZKHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(2)17-7-6-15-12(13(17)18)14-5-4-11-16-10(3)8-19-11/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 63241948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).