4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole

C17H20F2N2OS — CID 123280035

IUPAC4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(OCCN3CCC(F)(F)CC3)cc2)cs1
InChIInChI=1S/C17H20F2N2OS/c1-13-20-16(12-23-13)14-2-4-15(5-3-14)22-11-10-21-8-6-17(18,19)7-9-21/h2-5,12H,6-11H2,1H3
InChIKeyBKBDJRZGHDLCBF-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.23
Rot. Bonds5

About 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole

4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole (PubChem CID 123280035) has the molecular formula C17H20F2N2OS and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
PubChem CID123280035
Molecular FormulaC17H20F2N2OS
Molecular Weight338.42 g/mol
Exact Mass338.13
IUPAC Name4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(OCCN3CCC(F)(F)CC3)cc2)cs1
InChIInChI=1S/C17H20F2N2OS/c1-13-20-16(12-23-13)14-2-4-15(5-3-14)22-11-10-21-8-6-17(18,19)7-9-21/h2-5,12H,6-11H2,1H3
InChIKeyBKBDJRZGHDLCBF-UHFFFAOYSA-N
XLogP4.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole (CID 123280035) is 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(OCCN3CCC(F)(F)CC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole?
The InChIKey is BKBDJRZGHDLCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2OS/c1-13-20-16(12-23-13)14-2-4-15(5-3-14)22-11-10-21-8-6-17(18,19)7-9-21/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole?
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole has a molecular weight of 338.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 123280035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).