2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole

C18H19N3O2S3 — CID 30463840

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H19N3O2S3/c22-26(23,15-5-2-1-3-6-15)21-10-8-20(9-11-21)13-18-19-16(14-25-18)17-7-4-12-24-17/h1-7,12,14H,8-11,13H2
InChIKeyWFOLCBZZVSGLHL-UHFFFAOYSA-N
MW405.57 g/mol
LogP3.38
Rot. Bonds5

About 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 30463840) has the molecular formula C18H19N3O2S3 and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID30463840
Molecular FormulaC18H19N3O2S3
Molecular Weight405.57 g/mol
Exact Mass405.06
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H19N3O2S3/c22-26(23,15-5-2-1-3-6-15)21-10-8-20(9-11-21)13-18-19-16(14-25-18)17-7-4-12-24-17/h1-7,12,14H,8-11,13H2
InChIKeyWFOLCBZZVSGLHL-UHFFFAOYSA-N
XLogP3.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463865
2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30868768
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463893
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118795800
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (CID 30463840) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is O=S(=O)(c1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is WFOLCBZZVSGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S3/c22-26(23,15-5-2-1-3-6-15)21-10-8-20(9-11-21)13-18-19-16(14-25-18)17-7-4-12-24-17/h1-7,12,14H,8-11,13H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 405.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 30463840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).