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

C12H11F2NO2S — CID 79888636

IUPAC[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1nc(COc2c(F)cc(CO)cc2F)cs1
InChIInChI=1S/C12H11F2NO2S/c1-7-15-9(6-18-7)5-17-12-10(13)2-8(4-16)3-11(12)14/h2-3,6,16H,4-5H2,1H3
InChIKeyFLJDINRLVNYYHE-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.80
Rot. Bonds4

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

[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 79888636) has the molecular formula C12H11F2NO2S and a molecular weight of 271.29 g/mol. Its IUPAC name is [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID79888636
Molecular FormulaC12H11F2NO2S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1nc(COc2c(F)cc(CO)cc2F)cs1
InChIInChI=1S/C12H11F2NO2S/c1-7-15-9(6-18-7)5-17-12-10(13)2-8(4-16)3-11(12)14/h2-3,6,16H,4-5H2,1H3
InChIKeyFLJDINRLVNYYHE-UHFFFAOYSA-N
XLogP2.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888499
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887881
2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 79832344
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 79888636) is [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is Cc1nc(COc2c(F)cc(CO)cc2F)cs1.
What is the InChIKey of [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is FLJDINRLVNYYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S/c1-7-15-9(6-18-7)5-17-12-10(13)2-8(4-16)3-11(12)14/h2-3,6,16H,4-5H2,1H3.
What are the key properties of [3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 271.29 g/mol, XLogP of 2.80, 4 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-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 79888636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).