2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole

C18H23FN2O3S2 — CID 110308261

IUPAC2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2CCN(S(=O)(=O)CCOc3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C18H23FN2O3S2/c1-13-14(2)25-18(20-13)15-7-9-21(10-8-15)26(22,23)12-11-24-17-5-3-16(19)4-6-17/h3-6,15H,7-12H2,1-2H3
InChIKeyDRMTZKPOCCRNNX-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.49
Rot. Bonds6

About 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole

2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole (PubChem CID 110308261) has the molecular formula C18H23FN2O3S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
PubChem CID110308261
Molecular FormulaC18H23FN2O3S2
Molecular Weight398.53 g/mol
Exact Mass398.11
IUPAC Name2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2CCN(S(=O)(=O)CCOc3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C18H23FN2O3S2/c1-13-14(2)25-18(20-13)15-7-9-21(10-8-15)26(22,23)12-11-24-17-5-3-16(19)4-6-17/h3-6,15H,7-12H2,1-2H3
InChIKeyDRMTZKPOCCRNNX-UHFFFAOYSA-N
XLogP3.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
CID 90518310
1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
CID 122560429
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
6-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405331
[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110356428
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
CID 141141054
(1S,5R)-7-[2-(4-fluorophenoxy)ethylsulfonyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135119566
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole (CID 110308261) is 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole is Cc1nc(C2CCN(S(=O)(=O)CCOc3ccc(F)cc3)CC2)sc1C.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is DRMTZKPOCCRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S2/c1-13-14(2)25-18(20-13)15-7-9-21(10-8-15)26(22,23)12-11-24-17-5-3-16(19)4-6-17/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 398.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 110308261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).