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

C15H19N3O2S2 — CID 655185

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
SMILESCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H19N3O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)15-16-14(12-21-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyKGKZOUHHQQBHFN-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.28
Rot. Bonds4

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

2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole (PubChem CID 655185) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
PubChem CID655185
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole
SMILESCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H19N3O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)15-16-14(12-21-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyKGKZOUHHQQBHFN-UHFFFAOYSA-N
XLogP2.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole (CID 655185) is 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole is CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
The InChIKey is KGKZOUHHQQBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)15-16-14(12-21-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole?
2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole has a molecular weight of 337.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 655185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).