2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol

C12H11F2NO2S — CID 94280933

IUPAC2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2NO2S/c13-8-1-2-11(10(14)5-8)17-6-12-15-9(3-4-16)7-18-12/h1-2,5,7,16H,3-4,6H2
InChIKeyVRHOUMMBYXSMNR-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol

2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 94280933) has the molecular formula C12H11F2NO2S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID94280933
Molecular FormulaC12H11F2NO2S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2NO2S/c13-8-1-2-11(10(14)5-8)17-6-12-15-9(3-4-16)7-18-12/h1-2,5,7,16H,3-4,6H2
InChIKeyVRHOUMMBYXSMNR-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
2-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712990
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 112726596
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107687047
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol (CID 94280933) is 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol is OCCc1csc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is VRHOUMMBYXSMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S/c13-8-1-2-11(10(14)5-8)17-6-12-15-9(3-4-16)7-18-12/h1-2,5,7,16H,3-4,6H2.
What are the key properties of 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 271.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 94280933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).