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

C11H19N3OS — CID 82511541

IUPAC5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESCC1=CSCC(=O)N1CCN1CCNCC1
InChIInChI=1S/C11H19N3OS/c1-10-8-16-9-11(15)14(10)7-6-13-4-2-12-3-5-13/h8,12H,2-7,9H2,1H3
InChIKeyPHSSTWLSTCTJKF-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.33
Rot. Bonds3

About 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one

5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one (PubChem CID 82511541) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one.

Molecular Properties

Compound Name5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
PubChem CID82511541
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESCC1=CSCC(=O)N1CCN1CCNCC1
InChIInChI=1S/C11H19N3OS/c1-10-8-16-9-11(15)14(10)7-6-13-4-2-12-3-5-13/h8,12H,2-7,9H2,1H3
InChIKeyPHSSTWLSTCTJKF-UHFFFAOYSA-N
XLogP0.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The IUPAC name of 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one (CID 82511541) is 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one.
What is the SMILES notation for 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The canonical SMILES for 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one is CC1=CSCC(=O)N1CCN1CCNCC1.
What is the InChIKey of 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The InChIKey is PHSSTWLSTCTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-8-16-9-11(15)14(10)7-6-13-4-2-12-3-5-13/h8,12H,2-7,9H2,1H3.
What are the key properties of 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one has a molecular weight of 241.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-piperazin-1-ylethyl)-1,4-thiazin-3-one is sourced from PubChem (CID 82511541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).