[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C14H15F2NO2S — CID 79888499

IUPAC[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(F)cc(CO)cc2F)cs1
InChIInChI=1S/C14H15F2NO2S/c1-8(2)14-17-10(7-20-14)6-19-13-11(15)3-9(5-18)4-12(13)16/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyXEBPWLYJKFHEHD-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.62
Rot. Bonds5

About [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 79888499) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID79888499
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(F)cc(CO)cc2F)cs1
InChIInChI=1S/C14H15F2NO2S/c1-8(2)14-17-10(7-20-14)6-19-13-11(15)3-9(5-18)4-12(13)16/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyXEBPWLYJKFHEHD-UHFFFAOYSA-N
XLogP3.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888636
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487516
1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487391
3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61036939
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
2-[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487604
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 79888499) is [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CC(C)c1nc(COc2c(F)cc(CO)cc2F)cs1.
What is the InChIKey of [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is XEBPWLYJKFHEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c1-8(2)14-17-10(7-20-14)6-19-13-11(15)3-9(5-18)4-12(13)16/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 299.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 79888499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).