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

C12H16N4OS — CID 55156225

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1nc(CNc2nccn(C(C)C)c2=O)cs1
InChIInChI=1S/C12H16N4OS/c1-8(2)16-5-4-13-11(12(16)17)14-6-10-7-18-9(3)15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyVIAJAHPISXLPOW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.20
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55156225) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID55156225
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1nc(CNc2nccn(C(C)C)c2=O)cs1
InChIInChI=1S/C12H16N4OS/c1-8(2)16-5-4-13-11(12(16)17)14-6-10-7-18-9(3)15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyVIAJAHPISXLPOW-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one (CID 55156225) is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one is Cc1nc(CNc2nccn(C(C)C)c2=O)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VIAJAHPISXLPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)16-5-4-13-11(12(16)17)14-6-10-7-18-9(3)15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).