2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

C22H31N3O4S2 — CID 90617991

IUPAC2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESCOc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1
InChIInChI=1S/C22H31N3O4S2/c1-28-20-4-2-18(3-5-20)10-17-31(26,27)25-14-6-19(7-15-25)24-12-8-21(9-13-24)29-22-23-11-16-30-22/h2-5,11,16,19,21H,6-10,12-15,17H2,1H3
InChIKeyLBXMPHAZRVSFSY-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.03
Rot. Bonds8

About 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90617991) has the molecular formula C22H31N3O4S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90617991
Molecular FormulaC22H31N3O4S2
Molecular Weight465.64 g/mol
Exact Mass465.18
IUPAC Name2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESCOc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1
InChIInChI=1S/C22H31N3O4S2/c1-28-20-4-2-18(3-5-20)10-17-31(26,27)25-14-6-19(7-15-25)24-12-8-21(9-13-24)29-22-23-11-16-30-22/h2-5,11,16,19,21H,6-10,12-15,17H2,1H3
InChIKeyLBXMPHAZRVSFSY-UHFFFAOYSA-N
XLogP3.03
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole with MolForge

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Related Compounds

2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
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-(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-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90617741
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
2-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617985

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (CID 90617991) is 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is COc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1.
What is the InChIKey of 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is LBXMPHAZRVSFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S2/c1-28-20-4-2-18(3-5-20)10-17-31(26,27)25-14-6-19(7-15-25)24-12-8-21(9-13-24)29-22-23-11-16-30-22/h2-5,11,16,19,21H,6-10,12-15,17H2,1H3.
What are the key properties of 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 465.64 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90617991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).