4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C9H15N3O2S2 — CID 47122276

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C9H15N3O2S2/c1-16(13,14)12-4-2-11(3-5-12)6-9-7-15-8-10-9/h7-8H,2-6H2,1H3
InChIKeyZUQCSSKUMINENQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.22
Rot. Bonds3

About 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 47122276) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID47122276
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C9H15N3O2S2/c1-16(13,14)12-4-2-11(3-5-12)6-9-7-15-8-10-9/h7-8H,2-6H2,1H3
InChIKeyZUQCSSKUMINENQ-UHFFFAOYSA-N
XLogP0.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 47122276) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZUQCSSKUMINENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-16(13,14)12-4-2-11(3-5-12)6-9-7-15-8-10-9/h7-8H,2-6H2,1H3.
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 261.37 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 47122276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).