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

C17H17N3O2S2 — CID 17451097

IUPAC2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,16-6-5-14-3-1-2-4-15(14)13-16)20-10-8-19(9-11-20)17-18-7-12-23-17/h1-7,12-13H,8-11H2
InChIKeyGWRUTBIRQQHHJO-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.81
Rot. Bonds3

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

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole (PubChem CID 17451097) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
PubChem CID17451097
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,16-6-5-14-3-1-2-4-15(14)13-16)20-10-8-19(9-11-20)17-18-7-12-23-17/h1-7,12-13H,8-11H2
InChIKeyGWRUTBIRQQHHJO-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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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 86870379

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole (CID 17451097) is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is GWRUTBIRQQHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-24(22,16-6-5-14-3-1-2-4-15(14)13-16)20-10-8-19(9-11-20)17-18-7-12-23-17/h1-7,12-13H,8-11H2.
What are the key properties of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
2-(4-naphthalen-2-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-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 17451097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).