[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol

C11H7F4NO2S — CID 178132888

IUPAC[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1
InChIInChI=1S/C11H7F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-3,11,17H,4H2
InChIKeyQFSZIEMBTIZYGS-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.18
Rot. Bonds4

About [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol

[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 178132888) has the molecular formula C11H7F4NO2S and a molecular weight of 293.24 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
PubChem CID178132888
Molecular FormulaC11H7F4NO2S
Molecular Weight293.24 g/mol
Exact Mass293.01
IUPAC Name[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1
InChIInChI=1S/C11H7F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-3,11,17H,4H2
InChIKeyQFSZIEMBTIZYGS-UHFFFAOYSA-N
XLogP3.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
CID 178134350
[2-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-5-yl]methanol
CID 130713176
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanol
CID 79718635
[(3R,5S)-5-tert-butyl-1-[[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methoxymethanol
CID 178133614
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene
CID 130980335
[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol
CID 102845229
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
[2-(difluoromethoxy)-4,6-difluorophenyl]methanol
CID 130934755
[2-(2-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol
CID 79982813
1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
CID 167107554

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol (CID 178132888) is [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1.
What is the InChIKey of [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is QFSZIEMBTIZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-3,11,17H,4H2.
What are the key properties of [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol?
[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 293.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 178132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).