4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole

C18H18ClN3O2S3 — CID 46563115

IUPAC4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C18H18ClN3O2S3/c19-15-4-1-2-6-17(15)27(23,24)22-9-7-21(8-10-22)12-14-13-26-18(20-14)16-5-3-11-25-16/h1-6,11,13H,7-10,12H2
InChIKeyGYLSJEVMAZPIPD-UHFFFAOYSA-N
MW440.02 g/mol
LogP4.03
Rot. Bonds5

About 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole

4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 46563115) has the molecular formula C18H18ClN3O2S3 and a molecular weight of 440.02 g/mol. Its IUPAC name is 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID46563115
Molecular FormulaC18H18ClN3O2S3
Molecular Weight440.02 g/mol
Exact Mass439.02
IUPAC Name4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C18H18ClN3O2S3/c19-15-4-1-2-6-17(15)27(23,24)22-9-7-21(8-10-22)12-14-13-26-18(20-14)16-5-3-11-25-16/h1-6,11,13H,7-10,12H2
InChIKeyGYLSJEVMAZPIPD-UHFFFAOYSA-N
XLogP4.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.02
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 26574708
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224
4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24681499
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8694193
5-[[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78836560
2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 27076012

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (CID 46563115) is 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is GYLSJEVMAZPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S3/c19-15-4-1-2-6-17(15)27(23,24)22-9-7-21(8-10-22)12-14-13-26-18(20-14)16-5-3-11-25-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 440.02 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 46563115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).