4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one

C10H17N3OS — CID 82509987

IUPAC4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESO=C1CSC=CN1CCN1CCNCC1
InChIInChI=1S/C10H17N3OS/c14-10-9-15-8-7-13(10)6-5-12-3-1-11-2-4-12/h7-8,11H,1-6,9H2
InChIKeyVOIJVZKIWWMCGH-UHFFFAOYSA-N
MW227.33 g/mol
LogP-0.06
Rot. Bonds3

About 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one

4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one (PubChem CID 82509987) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
PubChem CID82509987
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESO=C1CSC=CN1CCN1CCNCC1
InChIInChI=1S/C10H17N3OS/c14-10-9-15-8-7-13(10)6-5-12-3-1-11-2-4-12/h7-8,11H,1-6,9H2
InChIKeyVOIJVZKIWWMCGH-UHFFFAOYSA-N
XLogP-0.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydropyrazine;4H-1,4-thiazin-3-one
CID 69748738
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017
3-(2-Oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 63312403
3-(2-Piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 63312548
4-(2-Aminoethyl)-1,4-thiazin-3-one
CID 82502740
4-(2-Oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one
CID 82511484
5-Methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
CID 82511541
6-Methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
CID 82511542
2-[2-(Ethylamino)ethenylsulfanyl]-1-[4-(methoxymethyl)piperazin-1-yl]ethanone
CID 160787471

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The IUPAC name of 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one (CID 82509987) is 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one.
What is the SMILES notation for 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The canonical SMILES for 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one is O=C1CSC=CN1CCN1CCNCC1.
What is the InChIKey of 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The InChIKey is VOIJVZKIWWMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c14-10-9-15-8-7-13(10)6-5-12-3-1-11-2-4-12/h7-8,11H,1-6,9H2.
What are the key properties of 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one has a molecular weight of 227.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one is sourced from PubChem (CID 82509987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).