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

C12H11F2NOS — CID 116867625

IUPAC1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1-c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-6,16H,1-2H3
InChIKeyQHEKJJWCOWJVQX-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.45
Rot. Bonds2

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

1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (PubChem CID 116867625) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
PubChem CID116867625
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1-c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-6,16H,1-2H3
InChIKeyQHEKJJWCOWJVQX-UHFFFAOYSA-N
XLogP3.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
1-[4-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867522
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
CID 82342230
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219513
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060
2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
CID 178120678
6-(2,5-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225141
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966828

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (CID 116867625) is 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is Cc1sc(C(C)O)nc1-c1cc(F)ccc1F.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The InChIKey is QHEKJJWCOWJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-6,16H,1-2H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).