4-methyl-1,3-thiazole;piperazin-2-one

C8H13N3OS — CID 69062762

IUPAC4-methyl-1,3-thiazole;piperazin-2-one
SMILESCc1cscn1.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C4H5NS/c7-4-3-5-1-2-6-4;1-4-2-6-3-5-4/h5H,1-3H2,(H,6,7);2-3H,1H3
InChIKeySAVXUEHEEJLNKT-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.16
Rot. Bonds

About 4-methyl-1,3-thiazole;piperazin-2-one

4-methyl-1,3-thiazole;piperazin-2-one (PubChem CID 69062762) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole;piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-thiazole;piperazin-2-one
PubChem CID69062762
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-methyl-1,3-thiazole;piperazin-2-one
SMILESCc1cscn1.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C4H5NS/c7-4-3-5-1-2-6-4;1-4-2-6-3-5-4/h5H,1-3H2,(H,6,7);2-3H,1H3
InChIKeySAVXUEHEEJLNKT-UHFFFAOYSA-N
XLogP0.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole;piperazin-2-one?
The IUPAC name of 4-methyl-1,3-thiazole;piperazin-2-one (CID 69062762) is 4-methyl-1,3-thiazole;piperazin-2-one.
What is the SMILES notation for 4-methyl-1,3-thiazole;piperazin-2-one?
The canonical SMILES for 4-methyl-1,3-thiazole;piperazin-2-one is Cc1cscn1.O=C1CNCCN1.
What is the InChIKey of 4-methyl-1,3-thiazole;piperazin-2-one?
The InChIKey is SAVXUEHEEJLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C4H5NS/c7-4-3-5-1-2-6-4;1-4-2-6-3-5-4/h5H,1-3H2,(H,6,7);2-3H,1H3.
What are the key properties of 4-methyl-1,3-thiazole;piperazin-2-one?
4-methyl-1,3-thiazole;piperazin-2-one has a molecular weight of 199.28 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole;piperazin-2-one is sourced from PubChem (CID 69062762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).