2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole

C17H19N5O2S2 — CID 86870379

IUPAC2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19N5O2S2/c23-26(24,22-9-7-20(8-10-22)17-18-6-11-25-17)16-12-19-21(14-16)13-15-4-2-1-3-5-15/h1-6,11-12,14H,7-10,13H2
InChIKeyMBPNSYCLAMWMNK-UHFFFAOYSA-N
MW389.51 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole

2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 86870379) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
PubChem CID86870379
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19N5O2S2/c23-26(24,22-9-7-20(8-10-22)17-18-6-11-25-17)16-12-19-21(14-16)13-15-4-2-1-3-5-15/h1-6,11-12,14H,7-10,13H2
InChIKeyMBPNSYCLAMWMNK-UHFFFAOYSA-N
XLogP1.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
4-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 163405560
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329607
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833
4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154747876
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole (CID 86870379) is 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole is O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is MBPNSYCLAMWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c23-26(24,22-9-7-20(8-10-22)17-18-6-11-25-17)16-12-19-21(14-16)13-15-4-2-1-3-5-15/h1-6,11-12,14H,7-10,13H2.
What are the key properties of 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 389.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 86870379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).