4-fluoro-2-(1,3-thiazolidin-2-yl)phenol

C9H10FNOS — CID 20568839

IUPAC4-fluoro-2-(1,3-thiazolidin-2-yl)phenol
SMILESOc1ccc(F)cc1C1NCCS1
InChIInChI=1S/C9H10FNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,9,11-12H,3-4H2
InChIKeyWWTAQYCKYCNREW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.87
Rot. Bonds1

About 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol

4-fluoro-2-(1,3-thiazolidin-2-yl)phenol (PubChem CID 20568839) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1,3-thiazolidin-2-yl)phenol
PubChem CID20568839
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name4-fluoro-2-(1,3-thiazolidin-2-yl)phenol
SMILESOc1ccc(F)cc1C1NCCS1
InChIInChI=1S/C9H10FNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,9,11-12H,3-4H2
InChIKeyWWTAQYCKYCNREW-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol?
The IUPAC name of 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol (CID 20568839) is 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol?
The canonical SMILES for 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol is Oc1ccc(F)cc1C1NCCS1.
What is the InChIKey of 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol?
The InChIKey is WWTAQYCKYCNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol?
4-fluoro-2-(1,3-thiazolidin-2-yl)phenol has a molecular weight of 199.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,3-thiazolidin-2-yl)phenol is sourced from PubChem (CID 20568839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).