1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C13H13F2NOS — CID 113328508

IUPAC1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(C(F)F)cc2)cs1
InChIInChI=1S/C13H13F2NOS/c1-8-16-11(7-18-8)6-12(17)9-2-4-10(5-3-9)13(14)15/h2-5,7,12-13,17H,6H2,1H3
InChIKeyVGYQHEXJERRKAT-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.67
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 113328508) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID113328508
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(C(F)F)cc2)cs1
InChIInChI=1S/C13H13F2NOS/c1-8-16-11(7-18-8)6-12(17)9-2-4-10(5-3-9)13(14)15/h2-5,7,12-13,17H,6H2,1H3
InChIKeyVGYQHEXJERRKAT-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 79437210

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 113328508) is 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2ccc(C(F)F)cc2)cs1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is VGYQHEXJERRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-8-16-11(7-18-8)6-12(17)9-2-4-10(5-3-9)13(14)15/h2-5,7,12-13,17H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 269.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 113328508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).