4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one

C10H13N3O3S — CID 31096525

IUPAC4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H13N3O3S/c1-7-6-17-10(16)13(7)5-9(15)12-3-2-11-8(14)4-12/h6H,2-5H2,1H3,(H,11,14)
InChIKeyYXXYONYFJAWYSF-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.82
Rot. Bonds2

About 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 31096525) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID31096525
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H13N3O3S/c1-7-6-17-10(16)13(7)5-9(15)12-3-2-11-8(14)4-12/h6H,2-5H2,1H3,(H,11,14)
InChIKeyYXXYONYFJAWYSF-UHFFFAOYSA-N
XLogP-0.82
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one (CID 31096525) is 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is YXXYONYFJAWYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-7-6-17-10(16)13(7)5-9(15)12-3-2-11-8(14)4-12/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 255.30 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 31096525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).