(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol

C14H16FNO2S — CID 107719981

IUPAC(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCc1nc(COc2ccc([C@@H](C)O)c(F)c2)sc1C
InChIInChI=1S/C14H16FNO2S/c1-8-10(3)19-14(16-8)7-18-11-4-5-12(9(2)17)13(15)6-11/h4-6,9,17H,7H2,1-3H3/t9-/m1/s1
InChIKeyYBFBDKIBQPIPDM-SECBINFHSA-N
MW281.35 g/mol
LogP3.53
Rot. Bonds4

About (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol

(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107719981) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107719981
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCc1nc(COc2ccc([C@@H](C)O)c(F)c2)sc1C
InChIInChI=1S/C14H16FNO2S/c1-8-10(3)19-14(16-8)7-18-11-4-5-12(9(2)17)13(15)6-11/h4-6,9,17H,7H2,1-3H3/t9-/m1/s1
InChIKeyYBFBDKIBQPIPDM-SECBINFHSA-N
XLogP3.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol (CID 107719981) is (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol is Cc1nc(COc2ccc([C@@H](C)O)c(F)c2)sc1C.
What is the InChIKey of (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is YBFBDKIBQPIPDM-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-8-10(3)19-14(16-8)7-18-11-4-5-12(9(2)17)13(15)6-11/h4-6,9,17H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol?
(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 281.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).