2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole

C23H23N3O2S2 — CID 43031251

IUPAC2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole
SMILESCC(c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23N3O2S2/c1-17(23-24-21-8-4-5-9-22(21)29-23)25-12-14-26(15-13-25)30(27,28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17H,12-15H2,1H3
InChIKeyKDXKEBMGRFTESD-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.52
Rot. Bonds4

About 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole

2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole (PubChem CID 43031251) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole
PubChem CID43031251
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC Name2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole
SMILESCC(c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23N3O2S2/c1-17(23-24-21-8-4-5-9-22(21)29-23)25-12-14-26(15-13-25)30(27,28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17H,12-15H2,1H3
InChIKeyKDXKEBMGRFTESD-UHFFFAOYSA-N
XLogP4.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46823413
2-[1-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46823436
2-[(1S)-1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041712
2-[(1S)-1-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 51869364
[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 39445111
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 9113402
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
3-(2-methoxyphenyl)-2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42722370
2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 173279216
(2R)-1-(azepan-1-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 9493876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole (CID 43031251) is 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole is CC(c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole?
The InChIKey is KDXKEBMGRFTESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c1-17(23-24-21-8-4-5-9-22(21)29-23)25-12-14-26(15-13-25)30(27,28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole?
2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole has a molecular weight of 437.59 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole is sourced from PubChem (CID 43031251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).