1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol

C11H9ClFNOS — CID 63035079

IUPAC1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C11H9ClFNOS/c1-6(15)9-5-14-11(16-9)7-3-2-4-8(12)10(7)13/h2-6,15H,1H3
InChIKeyPWBUWGRGPCYBMC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.66
Rot. Bonds2

About 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol

1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 63035079) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID63035079
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C11H9ClFNOS/c1-6(15)9-5-14-11(16-9)7-3-2-4-8(12)10(7)13/h2-6,15H,1H3
InChIKeyPWBUWGRGPCYBMC-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol (CID 63035079) is 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(-c2cccc(Cl)c2F)s1.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is PWBUWGRGPCYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-6(15)9-5-14-11(16-9)7-3-2-4-8(12)10(7)13/h2-6,15H,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 257.72 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63035079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).