2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole

C17H23N3O2S2 — CID 25476221

IUPAC2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-3-14(2)15-4-6-16(7-5-15)24(21,22)20-11-9-19(10-12-20)17-18-8-13-23-17/h4-8,13-14H,3,9-12H2,1-2H3/t14-/m0/s1
InChIKeyCSCJBMMYTWYOJY-AWEZNQCLSA-N
MW365.52 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole

2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 25476221) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
PubChem CID25476221
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-3-14(2)15-4-6-16(7-5-15)24(21,22)20-11-9-19(10-12-20)17-18-8-13-23-17/h4-8,13-14H,3,9-12H2,1-2H3/t14-/m0/s1
InChIKeyCSCJBMMYTWYOJY-AWEZNQCLSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467171
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 19682911
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833
1-(4-butan-2-ylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 19682745
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969
(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 9288969
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole (CID 25476221) is 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole is CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is CSCJBMMYTWYOJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-3-14(2)15-4-6-16(7-5-15)24(21,22)20-11-9-19(10-12-20)17-18-8-13-23-17/h4-8,13-14H,3,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole?
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 365.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 25476221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).