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

C13H14FNOS2 — CID 19426991

IUPAC1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C13H14FNOS2/c1-8(2)13(16,12-15-3-4-18-12)9-5-10(14)7-11(17)6-9/h3-8,16-17H,1-2H3
InChIKeyKZTZUUSTTTWYQW-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.46
Rot. Bonds3

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

1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 19426991) has the molecular formula C13H14FNOS2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID19426991
Molecular FormulaC13H14FNOS2
Molecular Weight283.39 g/mol
Exact Mass283.05
IUPAC Name1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C13H14FNOS2/c1-8(2)13(16,12-15-3-4-18-12)9-5-10(14)7-11(17)6-9/h3-8,16-17H,1-2H3
InChIKeyKZTZUUSTTTWYQW-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.46
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)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 19426991) is 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol is CC(C)C(O)(c1cc(F)cc(S)c1)c1nccs1.
What is the InChIKey of 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is KZTZUUSTTTWYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS2/c1-8(2)13(16,12-15-3-4-18-12)9-5-10(14)7-11(17)6-9/h3-8,16-17H,1-2H3.
What are the key properties of 1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
1-(3-fluoro-5-sulfanylphenyl)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 3.46, 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)-2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 19426991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).