1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol

C11H10FNOS2 — CID 19426955

IUPAC1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C11H10FNOS2/c1-11(14,10-13-2-3-16-10)7-4-8(12)6-9(15)5-7/h2-6,14-15H,1H3
InChIKeyZKBBXKVPORFTQD-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.83
Rot. Bonds2

About 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol

1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 19426955) has the molecular formula C11H10FNOS2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID19426955
Molecular FormulaC11H10FNOS2
Molecular Weight255.34 g/mol
Exact Mass255.02
IUPAC Name1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C11H10FNOS2/c1-11(14,10-13-2-3-16-10)7-4-8(12)6-9(15)5-7/h2-6,14-15H,1H3
InChIKeyZKBBXKVPORFTQD-UHFFFAOYSA-N
XLogP2.83
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol (CID 19426955) is 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol is CC(O)(c1cc(F)cc(S)c1)c1nccs1.
What is the InChIKey of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is ZKBBXKVPORFTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS2/c1-11(14,10-13-2-3-16-10)7-4-8(12)6-9(15)5-7/h2-6,14-15H,1H3.
What are the key properties of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol?
1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 255.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 19426955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).