1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one

C11H14N4OS — CID 55156224

IUPAC1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2cnc(C)s2)c1=O
InChIInChI=1S/C11H14N4OS/c1-3-15-5-4-12-10(11(15)16)14-7-9-6-13-8(2)17-9/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyBYDVLBYZYAVIEE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.64
Rot. Bonds4

About 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one

1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one (PubChem CID 55156224) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one
PubChem CID55156224
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2cnc(C)s2)c1=O
InChIInChI=1S/C11H14N4OS/c1-3-15-5-4-12-10(11(15)16)14-7-9-6-13-8(2)17-9/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyBYDVLBYZYAVIEE-UHFFFAOYSA-N
XLogP1.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one (CID 55156224) is 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2cnc(C)s2)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one?
The InChIKey is BYDVLBYZYAVIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-15-5-4-12-10(11(15)16)14-7-9-6-13-8(2)17-9/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one?
1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 55156224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).