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

C16H27N3O3S2 — CID 90618011

IUPAC2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H27N3O3S2/c1-2-13-24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12,14-15H,2-6,8-11,13H2,1H3
InChIKeyVYDQAFPODRDTMZ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.19
Rot. Bonds6

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

2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90618011) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90618011
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC Name2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H27N3O3S2/c1-2-13-24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12,14-15H,2-6,8-11,13H2,1H3
InChIKeyVYDQAFPODRDTMZ-UHFFFAOYSA-N
XLogP2.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617931
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617991
2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617934
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-propyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]pentan-1-one
CID 90617873
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
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-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 90618011) is 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is CCCS(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is VYDQAFPODRDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-2-13-24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12,14-15H,2-6,8-11,13H2,1H3.
What are the key properties of 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 373.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90618011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).