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

C13H18N4OS — CID 62939546

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)c2sc(C)nc2C)c1=O
InChIInChI=1S/C13H18N4OS/c1-5-17-7-6-14-12(13(17)18)16-9(3)11-8(2)15-10(4)19-11/h6-7,9H,5H2,1-4H3,(H,14,16)
InChIKeyAOKGKUFPKXXBCT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds4

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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one (PubChem CID 62939546) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one
PubChem CID62939546
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)c2sc(C)nc2C)c1=O
InChIInChI=1S/C13H18N4OS/c1-5-17-7-6-14-12(13(17)18)16-9(3)11-8(2)15-10(4)19-11/h6-7,9H,5H2,1-4H3,(H,14,16)
InChIKeyAOKGKUFPKXXBCT-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
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-ethylpyrazin-2-one?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one (CID 62939546) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NC(C)c2sc(C)nc2C)c1=O.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one?
The InChIKey is AOKGKUFPKXXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-17-7-6-14-12(13(17)18)16-9(3)11-8(2)15-10(4)19-11/h6-7,9H,5H2,1-4H3,(H,14,16).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-ethylpyrazin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.51, 4 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-ethylpyrazin-2-one is sourced from PubChem (CID 62939546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).