2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole

C17H14FNO3S2 — CID 51327833

IUPAC2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H14FNO3S2/c1-24(20,21)16-8-6-15(7-9-16)22-10-14-11-23-17(19-14)12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3
InChIKeyJJAPGOHCUZSGEP-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole (PubChem CID 51327833) has the molecular formula C17H14FNO3S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
PubChem CID51327833
Molecular FormulaC17H14FNO3S2
Molecular Weight363.44 g/mol
Exact Mass363.04
IUPAC Name2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H14FNO3S2/c1-24(20,21)16-8-6-15(7-9-16)22-10-14-11-23-17(19-14)12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3
InChIKeyJJAPGOHCUZSGEP-UHFFFAOYSA-N
XLogP3.93
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 166189607
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
(4-fluorophenyl) 4-[4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25024915
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
CID 112769783
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884944
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 31273220
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984266
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861532
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole (CID 51327833) is 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole is CS(=O)(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole?
The InChIKey is JJAPGOHCUZSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S2/c1-24(20,21)16-8-6-15(7-9-16)22-10-14-11-23-17(19-14)12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole has a molecular weight of 363.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 51327833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).