2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one

C8H11N3O2S — CID 141220413

IUPAC2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one
SMILESCN1CCN(C2=NC(=O)CS2)CC1=O
InChIInChI=1S/C8H11N3O2S/c1-10-2-3-11(4-7(10)13)8-9-6(12)5-14-8/h2-5H2,1H3
InChIKeyXIFSOHMRSVWVRP-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.61
Rot. Bonds

About 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one

2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 141220413) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID141220413
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one
SMILESCN1CCN(C2=NC(=O)CS2)CC1=O
InChIInChI=1S/C8H11N3O2S/c1-10-2-3-11(4-7(10)13)8-9-6(12)5-14-8/h2-5H2,1H3
InChIKeyXIFSOHMRSVWVRP-UHFFFAOYSA-N
XLogP-0.61
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one (CID 141220413) is 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one is CN1CCN(C2=NC(=O)CS2)CC1=O.
What is the InChIKey of 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is XIFSOHMRSVWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-10-2-3-11(4-7(10)13)8-9-6(12)5-14-8/h2-5H2,1H3.
What are the key properties of 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 213.26 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 141220413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).