1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

C12H16N4OS — CID 55261233

IUPAC1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C12H16N4OS/c1-12(2,3)16-5-4-13-10(11(16)17)14-6-9-7-18-8-15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMVYLDOVRLQOCFF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds3

About 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (PubChem CID 55261233) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
PubChem CID55261233
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C12H16N4OS/c1-12(2,3)16-5-4-13-10(11(16)17)14-6-9-7-18-8-15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMVYLDOVRLQOCFF-UHFFFAOYSA-N
XLogP2.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (CID 55261233) is 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NCc2cscn2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The InChIKey is MVYLDOVRLQOCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)16-5-4-13-10(11(16)17)14-6-9-7-18-8-15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 55261233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).