1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one

C11H17N3O2S — CID 86785266

IUPAC1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2cncs2)CC1=O
InChIInChI=1S/C11H17N3O2S/c1-16-5-4-14-3-2-13(8-11(14)15)7-10-6-12-9-17-10/h6,9H,2-5,7-8H2,1H3
InChIKeyXYMDCHCQKRJVGB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.43
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one

1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one (PubChem CID 86785266) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
PubChem CID86785266
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2cncs2)CC1=O
InChIInChI=1S/C11H17N3O2S/c1-16-5-4-14-3-2-13(8-11(14)15)7-10-6-12-9-17-10/h6,9H,2-5,7-8H2,1H3
InChIKeyXYMDCHCQKRJVGB-UHFFFAOYSA-N
XLogP0.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one (CID 86785266) is 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one is COCCN1CCN(Cc2cncs2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The InChIKey is XYMDCHCQKRJVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-5-4-14-3-2-13(8-11(14)15)7-10-6-12-9-17-10/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one has a molecular weight of 255.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one is sourced from PubChem (CID 86785266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).