3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol

C12H12FNOS — CID 22406596

IUPAC3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(c1cc(O)cc(F)c1)c1nccs1
InChIInChI=1S/C12H12FNOS/c1-2-11(12-14-3-4-16-12)8-5-9(13)7-10(15)6-8/h3-7,11,15H,2H2,1H3
InChIKeyQOCOHKSCPVCSLL-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.53
Rot. Bonds3

About 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol

3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol (PubChem CID 22406596) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol
PubChem CID22406596
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(c1cc(O)cc(F)c1)c1nccs1
InChIInChI=1S/C12H12FNOS/c1-2-11(12-14-3-4-16-12)8-5-9(13)7-10(15)6-8/h3-7,11,15H,2H2,1H3
InChIKeyQOCOHKSCPVCSLL-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol?
The IUPAC name of 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol (CID 22406596) is 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol.
What is the SMILES notation for 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol?
The canonical SMILES for 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol is CCC(c1cc(O)cc(F)c1)c1nccs1.
What is the InChIKey of 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol?
The InChIKey is QOCOHKSCPVCSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-2-11(12-14-3-4-16-12)8-5-9(13)7-10(15)6-8/h3-7,11,15H,2H2,1H3.
What are the key properties of 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol?
3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol is sourced from PubChem (CID 22406596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).