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

C21H29N3O3S2 — CID 90617948

IUPAC2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(CCc1ccccc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H29N3O3S2/c25-29(26,17-10-18-4-2-1-3-5-18)24-14-6-19(7-15-24)23-12-8-20(9-13-23)27-21-22-11-16-28-21/h1-5,11,16,19-20H,6-10,12-15,17H2
InChIKeyHCDVNHUZIPDSNQ-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.02
Rot. Bonds7

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

2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90617948) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90617948
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC Name2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(CCc1ccccc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H29N3O3S2/c25-29(26,17-10-18-4-2-1-3-5-18)24-14-6-19(7-15-24)23-12-8-20(9-13-23)27-21-22-11-16-28-21/h1-5,11,16,19-20H,6-10,12-15,17H2
InChIKeyHCDVNHUZIPDSNQ-UHFFFAOYSA-N
XLogP3.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617991
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
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-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
(3-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
CID 90617536
2-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617985
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (CID 90617948) is 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is O=S(=O)(CCc1ccccc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is HCDVNHUZIPDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c25-29(26,17-10-18-4-2-1-3-5-18)24-14-6-19(7-15-24)23-12-8-20(9-13-23)27-21-22-11-16-28-21/h1-5,11,16,19-20H,6-10,12-15,17H2.
What are the key properties of 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 435.62 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90617948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).