3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one

C12H16N4OS — CID 62939399

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(C)c2=O)s1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-9(3)14-7)8(2)15-11-12(17)16(4)6-5-13-11/h5-6,8H,1-4H3,(H,13,15)
InChIKeyGJMJZYGEJRYYRA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds3

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one (PubChem CID 62939399) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one
PubChem CID62939399
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(C)c2=O)s1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-9(3)14-7)8(2)15-11-12(17)16(4)6-5-13-11/h5-6,8H,1-4H3,(H,13,15)
InChIKeyGJMJZYGEJRYYRA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one (CID 62939399) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one is Cc1nc(C)c(C(C)Nc2nccn(C)c2=O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one?
The InChIKey is GJMJZYGEJRYYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-10(18-9(3)14-7)8(2)15-11-12(17)16(4)6-5-13-11/h5-6,8H,1-4H3,(H,13,15).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 62939399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).