2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole

C17H17N3O2S2 — CID 58724183

IUPAC2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,16-7-3-5-14-4-1-2-6-15(14)16)20-11-9-19(10-12-20)17-18-8-13-23-17/h1-8,13H,9-12H2
InChIKeyIHJLAYFOCTWHMN-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole

2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole (PubChem CID 58724183) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
PubChem CID58724183
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,16-7-3-5-14-4-1-2-6-15(14)16)20-11-9-19(10-12-20)17-18-8-13-23-17/h1-8,13H,9-12H2
InChIKeyIHJLAYFOCTWHMN-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole (CID 58724183) is 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole is O=S(=O)(c1cccc2ccccc12)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is IHJLAYFOCTWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-24(22,16-7-3-5-14-4-1-2-6-15(14)16)20-11-9-19(10-12-20)17-18-8-13-23-17/h1-8,13H,9-12H2.
What are the key properties of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 359.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 58724183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).