[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol

C15H18FNO2S — CID 115956396

IUPAC[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
SMILESCC(C)(C)c1csc(COc2c(F)cccc2CO)n1
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)12-9-20-13(17-12)8-19-14-10(7-18)5-4-6-11(14)16/h4-6,9,18H,7-8H2,1-3H3
InChIKeyFKOBJCVDDRYCSF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.65
Rot. Bonds4

About [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol (PubChem CID 115956396) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
PubChem CID115956396
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
SMILESCC(C)(C)c1csc(COc2c(F)cccc2CO)n1
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)12-9-20-13(17-12)8-19-14-10(7-18)5-4-6-11(14)16/h4-6,9,18H,7-8H2,1-3H3
InChIKeyFKOBJCVDDRYCSF-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methanol
CID 112613201
[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
CID 112749411
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 91649156
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793763
N-[[3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115955093
2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol (CID 115956396) is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol is CC(C)(C)c1csc(COc2c(F)cccc2CO)n1.
What is the InChIKey of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is FKOBJCVDDRYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-15(2,3)12-9-20-13(17-12)8-19-14-10(7-18)5-4-6-11(14)16/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol?
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 295.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 115956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).