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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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).