[2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C12H11F2NO2S — CID 22219955

IUPAC[2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1nc(COc2cc(F)c(CO)c(F)c2)cs1
InChIInChI=1S/C12H11F2NO2S/c1-7-15-8(6-18-7)5-17-9-2-11(13)10(4-16)12(14)3-9/h2-3,6,16H,4-5H2,1H3
InChIKeyGLVRUNIUSHIZOB-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.80
Rot. Bonds4

About [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 22219955) has the molecular formula C12H11F2NO2S and a molecular weight of 271.29 g/mol. Its IUPAC name is [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID22219955
Molecular FormulaC12H11F2NO2S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name[2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1nc(COc2cc(F)c(CO)c(F)c2)cs1
InChIInChI=1S/C12H11F2NO2S/c1-7-15-8(6-18-7)5-17-9-2-11(13)10(4-16)12(14)3-9/h2-3,6,16H,4-5H2,1H3
InChIKeyGLVRUNIUSHIZOB-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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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 22219955) is [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is Cc1nc(COc2cc(F)c(CO)c(F)c2)cs1.
What is the InChIKey of [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is GLVRUNIUSHIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S/c1-7-15-8(6-18-7)5-17-9-2-11(13)10(4-16)12(14)3-9/h2-3,6,16H,4-5H2,1H3.
What are the key properties of [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[2,6-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 [2,6-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 22219955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).