2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole

C14H17N3O2S2 — CID 618556

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-9-7-16(8-10-17)14-15-13(11-20-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJOEFKWBADBWUBG-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole

2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole (PubChem CID 618556) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
PubChem CID618556
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-9-7-16(8-10-17)14-15-13(11-20-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJOEFKWBADBWUBG-UHFFFAOYSA-N
XLogP1.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole (CID 618556) is 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole is CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The InChIKey is JOEFKWBADBWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)17-9-7-16(8-10-17)14-15-13(11-20-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole has a molecular weight of 323.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 618556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).