1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol

C12H11F2NOS — CID 112642081

IUPAC1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H11F2NOS/c13-12(14)9-3-1-8(2-4-9)11(16)5-10-6-15-7-17-10/h1-4,6-7,11-12,16H,5H2
InChIKeyHUPFTPSZCMMWBF-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol

1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642081) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642081
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H11F2NOS/c13-12(14)9-3-1-8(2-4-9)11(16)5-10-6-15-7-17-10/h1-4,6-7,11-12,16H,5H2
InChIKeyHUPFTPSZCMMWBF-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642086
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641881
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol (CID 112642081) is 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is HUPFTPSZCMMWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c13-12(14)9-3-1-8(2-4-9)11(16)5-10-6-15-7-17-10/h1-4,6-7,11-12,16H,5H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 255.29 g/mol, XLogP of 3.36, 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-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).