4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

C16H16ClN3O2S4 — CID 24681499

IUPAC4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H16ClN3O2S4/c17-14-1-2-15(25-14)26(21,22)20-6-4-19(5-7-20)9-13-11-24-16(18-13)12-3-8-23-10-12/h1-3,8,10-11H,4-7,9H2
InChIKeyPJTUCMYIABLPCX-UHFFFAOYSA-N
MW446.04 g/mol
LogP4.09
Rot. Bonds5

About 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 24681499) has the molecular formula C16H16ClN3O2S4 and a molecular weight of 446.04 g/mol. Its IUPAC name is 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID24681499
Molecular FormulaC16H16ClN3O2S4
Molecular Weight446.04 g/mol
Exact Mass444.98
IUPAC Name4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H16ClN3O2S4/c17-14-1-2-15(25-14)26(21,22)20-6-4-19(5-7-20)9-13-11-24-16(18-13)12-3-8-23-10-12/h1-3,8,10-11H,4-7,9H2
InChIKeyPJTUCMYIABLPCX-UHFFFAOYSA-N
XLogP4.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole with MolForge

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Related Compounds

2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24656784
N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 24656783
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 27768789
4-[[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24656779
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 46563115
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 46562847
2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole
CID 8687190
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (CID 24681499) is 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is PJTUCMYIABLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S4/c17-14-1-2-15(25-14)26(21,22)20-6-4-19(5-7-20)9-13-11-24-16(18-13)12-3-8-23-10-12/h1-3,8,10-11H,4-7,9H2.
What are the key properties of 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 446.04 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 24681499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).