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

C11H15N3O3S — CID 35787313

IUPAC4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-8-7-18-11(17)14(8)4-2-10(16)13-5-3-12-9(15)6-13/h7H,2-6H2,1H3,(H,12,15)
InChIKeyUNYSDHMVJSAXHO-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.43
Rot. Bonds3

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

4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one (PubChem CID 35787313) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one
PubChem CID35787313
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-8-7-18-11(17)14(8)4-2-10(16)13-5-3-12-9(15)6-13/h7H,2-6H2,1H3,(H,12,15)
InChIKeyUNYSDHMVJSAXHO-UHFFFAOYSA-N
XLogP-0.43
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one (CID 35787313) is 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one?
The InChIKey is UNYSDHMVJSAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-7-18-11(17)14(8)4-2-10(16)13-5-3-12-9(15)6-13/h7H,2-6H2,1H3,(H,12,15).
What are the key properties of 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one?
4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one has a molecular weight of 269.33 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 35787313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).