1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C12H11F2NOS — CID 55119797

IUPAC1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(F)ccc2F)cs1
InChIInChI=1S/C12H11F2NOS/c1-7-15-9(6-17-7)5-12(16)10-4-8(13)2-3-11(10)14/h2-4,6,12,16H,5H2,1H3
InChIKeyPJFIDPBYACCFGY-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 55119797) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID55119797
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(F)ccc2F)cs1
InChIInChI=1S/C12H11F2NOS/c1-7-15-9(6-17-7)5-12(16)10-4-8(13)2-3-11(10)14/h2-4,6,12,16H,5H2,1H3
InChIKeyPJFIDPBYACCFGY-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 55119797) is 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cc(F)ccc2F)cs1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is PJFIDPBYACCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c1-7-15-9(6-17-7)5-12(16)10-4-8(13)2-3-11(10)14/h2-4,6,12,16H,5H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 255.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 55119797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).