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

C12H12FNOS2 — CID 19426959

IUPAC1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C12H12FNOS2/c1-2-12(15,11-14-3-4-17-11)8-5-9(13)7-10(16)6-8/h3-7,15-16H,2H2,1H3
InChIKeyRGTAZAKZNUZOCN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.22
Rot. Bonds3

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

1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 19426959) has the molecular formula C12H12FNOS2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID19426959
Molecular FormulaC12H12FNOS2
Molecular Weight269.37 g/mol
Exact Mass269.03
IUPAC Name1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C12H12FNOS2/c1-2-12(15,11-14-3-4-17-11)8-5-9(13)7-10(16)6-8/h3-7,15-16H,2H2,1H3
InChIKeyRGTAZAKZNUZOCN-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.22
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)propan-1-ol?
The IUPAC name of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (CID 19426959) is 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol is CCC(O)(c1cc(F)cc(S)c1)c1nccs1.
What is the InChIKey of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is RGTAZAKZNUZOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS2/c1-2-12(15,11-14-3-4-17-11)8-5-9(13)7-10(16)6-8/h3-7,15-16H,2H2,1H3.
What are the key properties of 1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
1-(3-fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 3.22, 3 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)propan-1-ol is sourced from PubChem (CID 19426959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).