2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

C16H18N3O2S4+ — CID 8687190

IUPAC2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole
SMILESO=S(=O)(c1cccs1)N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H17N3O2S4/c20-25(21,15-2-1-8-23-15)19-6-4-18(5-7-19)10-14-12-24-16(17-14)13-3-9-22-11-13/h1-3,8-9,11-12H,4-7,10H2/p+1
InChIKeyUOUCEUDDSLNENL-UHFFFAOYSA-O
MW412.61 g/mol
LogP2.02
Rot. Bonds5

About 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole (PubChem CID 8687190) has the molecular formula C16H18N3O2S4+ and a molecular weight of 412.61 g/mol. Its IUPAC name is 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole
PubChem CID8687190
Molecular FormulaC16H18N3O2S4+
Molecular Weight412.61 g/mol
Exact Mass412.03
IUPAC Name2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole
SMILESO=S(=O)(c1cccs1)N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H17N3O2S4/c20-25(21,15-2-1-8-23-15)19-6-4-18(5-7-19)10-14-12-24-16(17-14)13-3-9-22-11-13/h1-3,8-9,11-12H,4-7,10H2/p+1
InChIKeyUOUCEUDDSLNENL-UHFFFAOYSA-O
XLogP2.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

5-phenyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole
CID 8686853
7-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8745200
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 7029027
4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24681499
2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole
CID 8686777
4-[[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24656779
6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24656784
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane;hydrochloride
CID 24737319
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 31794244
N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 24656783
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole (CID 8687190) is 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole is O=S(=O)(c1cccs1)N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole?
The InChIKey is UOUCEUDDSLNENL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O2S4/c20-25(21,15-2-1-8-23-15)19-6-4-18(5-7-19)10-14-12-24-16(17-14)13-3-9-22-11-13/h1-3,8-9,11-12H,4-7,10H2/p+1.
What are the key properties of 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole?
2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole has a molecular weight of 412.61 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 8687190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).