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

C9H10N4OS — CID 63831167

IUPAC1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C9H10N4OS/c1-13-3-2-10-8(9(13)14)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyJTVXBZNTNFOKFF-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.85
Rot. Bonds3

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

1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (PubChem CID 63831167) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
PubChem CID63831167
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C9H10N4OS/c1-13-3-2-10-8(9(13)14)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyJTVXBZNTNFOKFF-UHFFFAOYSA-N
XLogP0.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
CID 63831380
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572554
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (CID 63831167) is 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is Cn1ccnc(NCc2cscn2)c1=O.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The InChIKey is JTVXBZNTNFOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-3-2-10-8(9(13)14)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11).
What are the key properties of 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one has a molecular weight of 222.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 63831167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).