4-(5-fluoro-1,3-thiazol-4-yl)phenol

C9H6FNOS — CID 141423844

IUPAC4-(5-fluoro-1,3-thiazol-4-yl)phenol
SMILESOc1ccc(-c2ncsc2F)cc1
InChIInChI=1S/C9H6FNOS/c10-9-8(11-5-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyYRKVYQSAXKWMOX-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.65
Rot. Bonds1

About 4-(5-fluoro-1,3-thiazol-4-yl)phenol

4-(5-fluoro-1,3-thiazol-4-yl)phenol (PubChem CID 141423844) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(5-fluoro-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-fluoro-1,3-thiazol-4-yl)phenol
PubChem CID141423844
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name4-(5-fluoro-1,3-thiazol-4-yl)phenol
SMILESOc1ccc(-c2ncsc2F)cc1
InChIInChI=1S/C9H6FNOS/c10-9-8(11-5-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyYRKVYQSAXKWMOX-UHFFFAOYSA-N
XLogP2.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,3-thiazol-4-yl)phenol?
The IUPAC name of 4-(5-fluoro-1,3-thiazol-4-yl)phenol (CID 141423844) is 4-(5-fluoro-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 4-(5-fluoro-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 4-(5-fluoro-1,3-thiazol-4-yl)phenol is Oc1ccc(-c2ncsc2F)cc1.
What is the InChIKey of 4-(5-fluoro-1,3-thiazol-4-yl)phenol?
The InChIKey is YRKVYQSAXKWMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-9-8(11-5-13-9)6-1-3-7(12)4-2-6/h1-5,12H.
What are the key properties of 4-(5-fluoro-1,3-thiazol-4-yl)phenol?
4-(5-fluoro-1,3-thiazol-4-yl)phenol has a molecular weight of 195.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 141423844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).