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

C16H16ClN3O2S4 — CID 30463883

IUPAC2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H16ClN3O2S4/c17-14-3-4-16(25-14)26(21,22)20-7-5-19(6-8-20)10-15-18-12(11-24-15)13-2-1-9-23-13/h1-4,9,11H,5-8,10H2
InChIKeySYMYDYPVBZHIML-UHFFFAOYSA-N
MW446.04 g/mol
LogP4.09
Rot. Bonds5

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

2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 30463883) has the molecular formula C16H16ClN3O2S4 and a molecular weight of 446.04 g/mol. Its IUPAC name is 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID30463883
Molecular FormulaC16H16ClN3O2S4
Molecular Weight446.04 g/mol
Exact Mass444.98
IUPAC Name2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H16ClN3O2S4/c17-14-3-4-16(25-14)26(21,22)20-7-5-19(6-8-20)10-15-18-12(11-24-15)13-2-1-9-23-13/h1-4,9,11H,5-8,10H2
InChIKeySYMYDYPVBZHIML-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (CID 30463883) is 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is SYMYDYPVBZHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S4/c17-14-3-4-16(25-14)26(21,22)20-7-5-19(6-8-20)10-15-18-12(11-24-15)13-2-1-9-23-13/h1-4,9,11H,5-8,10H2.
What are the key properties of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-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 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 30463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).