2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

C12H8F5NOS — CID 115811976

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESCc1nc(CC(O)c2c(F)c(F)c(F)c(F)c2F)cs1
InChIInChI=1S/C12H8F5NOS/c1-4-18-5(3-20-4)2-6(19)7-8(13)10(15)12(17)11(16)9(7)14/h3,6,19H,2H2,1H3
InChIKeyJIHFPRQVGDVETC-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (PubChem CID 115811976) has the molecular formula C12H8F5NOS and a molecular weight of 309.26 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
PubChem CID115811976
Molecular FormulaC12H8F5NOS
Molecular Weight309.26 g/mol
Exact Mass309.02
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESCc1nc(CC(O)c2c(F)c(F)c(F)c(F)c2F)cs1
InChIInChI=1S/C12H8F5NOS/c1-4-18-5(3-20-4)2-6(19)7-8(13)10(15)12(17)11(16)9(7)14/h3,6,19H,2H2,1H3
InChIKeyJIHFPRQVGDVETC-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
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
1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 114726469
1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 107124815

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (CID 115811976) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is Cc1nc(CC(O)c2c(F)c(F)c(F)c(F)c2F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The InChIKey is JIHFPRQVGDVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5NOS/c1-4-18-5(3-20-4)2-6(19)7-8(13)10(15)12(17)11(16)9(7)14/h3,6,19H,2H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol has a molecular weight of 309.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is sourced from PubChem (CID 115811976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).