1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol

C11H10FNOS2 — CID 63835700

IUPAC1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Sc1nccs1
InChIInChI=1S/C11H10FNOS2/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-7,14H,1H3
InChIKeyKIAQDHBHLBJMPA-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.49
Rot. Bonds3

About 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol

1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 63835700) has the molecular formula C11H10FNOS2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID63835700
Molecular FormulaC11H10FNOS2
Molecular Weight255.34 g/mol
Exact Mass255.02
IUPAC Name1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Sc1nccs1
InChIInChI=1S/C11H10FNOS2/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-7,14H,1H3
InChIKeyKIAQDHBHLBJMPA-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol (CID 63835700) is 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol is CC(O)c1cc(F)ccc1Sc1nccs1.
What is the InChIKey of 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is KIAQDHBHLBJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS2/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-7,14H,1H3.
What are the key properties of 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol?
1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 255.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63835700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).