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

C14H20N4OS — CID 62939707

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(C(C)C)c2=O)s1
InChIInChI=1S/C14H20N4OS/c1-8(2)18-7-6-15-13(14(18)19)17-10(4)12-9(3)16-11(5)20-12/h6-8,10H,1-5H3,(H,15,17)
InChIKeyNREICPZPRTZBKF-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.07
Rot. Bonds4

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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62939707) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62939707
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(C(C)C)c2=O)s1
InChIInChI=1S/C14H20N4OS/c1-8(2)18-7-6-15-13(14(18)19)17-10(4)12-9(3)16-11(5)20-12/h6-8,10H,1-5H3,(H,15,17)
InChIKeyNREICPZPRTZBKF-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.07
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-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (CID 62939707) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one is Cc1nc(C)c(C(C)Nc2nccn(C(C)C)c2=O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is NREICPZPRTZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8(2)18-7-6-15-13(14(18)19)17-10(4)12-9(3)16-11(5)20-12/h6-8,10H,1-5H3,(H,15,17).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 292.41 g/mol, XLogP of 3.07, 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-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62939707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).