2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

C25H28ClN3O4S2 — CID 90618031

IUPAC2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C25H28ClN3O4S2/c26-23-3-1-2-4-24(23)32-20-5-7-22(8-6-20)35(30,31)29-16-9-19(10-17-29)28-14-11-21(12-15-28)33-25-27-13-18-34-25/h1-8,13,18-19,21H,9-12,14-17H2
InChIKeyDJODUKANTFFUKE-UHFFFAOYSA-N
MW534.10 g/mol
LogP5.29
Rot. Bonds7

About 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90618031) has the molecular formula C25H28ClN3O4S2 and a molecular weight of 534.10 g/mol. Its IUPAC name is 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90618031
Molecular FormulaC25H28ClN3O4S2
Molecular Weight534.10 g/mol
Exact Mass533.12
IUPAC Name2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C25H28ClN3O4S2/c26-23-3-1-2-4-24(23)32-20-5-7-22(8-6-20)35(30,31)29-16-9-19(10-17-29)28-14-11-21(12-15-28)33-25-27-13-18-34-25/h1-8,13,18-19,21H,9-12,14-17H2
InChIKeyDJODUKANTFFUKE-UHFFFAOYSA-N
XLogP5.29
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.10
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617985
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
2-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617931
2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617934
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617991
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (CID 90618031) is 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is DJODUKANTFFUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4S2/c26-23-3-1-2-4-24(23)32-20-5-7-22(8-6-20)35(30,31)29-16-9-19(10-17-29)28-14-11-21(12-15-28)33-25-27-13-18-34-25/h1-8,13,18-19,21H,9-12,14-17H2.
What are the key properties of 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 534.10 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90618031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).