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

C12H17N3O3S — CID 31096811

IUPAC4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-9-8-19-12(18)15(9)5-2-3-11(17)14-6-4-13-10(16)7-14/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZROKFQRCSSHHJH-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.04
Rot. Bonds4

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

4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one (PubChem CID 31096811) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one
PubChem CID31096811
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-9-8-19-12(18)15(9)5-2-3-11(17)14-6-4-13-10(16)7-14/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZROKFQRCSSHHJH-UHFFFAOYSA-N
XLogP-0.04
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one (CID 31096811) is 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one?
The InChIKey is ZROKFQRCSSHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-8-19-12(18)15(9)5-2-3-11(17)14-6-4-13-10(16)7-14/h8H,2-7H2,1H3,(H,13,16).
What are the key properties of 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one?
4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one has a molecular weight of 283.35 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one is sourced from PubChem (CID 31096811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).