4-(2-fluorophenyl)-1,3-thiazole

C9H6FNS — CID 4683730

IUPAC4-(2-fluorophenyl)-1,3-thiazole
SMILESFc1ccccc1-c1cscn1
InChIInChI=1S/C9H6FNS/c10-8-4-2-1-3-7(8)9-5-12-6-11-9/h1-6H
InChIKeyZHRICLVLJYQIAY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.95
Rot. Bonds1

About 4-(2-fluorophenyl)-1,3-thiazole

4-(2-fluorophenyl)-1,3-thiazole (PubChem CID 4683730) has the molecular formula C9H6FNS and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1,3-thiazole
PubChem CID4683730
Molecular FormulaC9H6FNS
Molecular Weight179.22 g/mol
Exact Mass179.02
IUPAC Name4-(2-fluorophenyl)-1,3-thiazole
SMILESFc1ccccc1-c1cscn1
InChIInChI=1S/C9H6FNS/c10-8-4-2-1-3-7(8)9-5-12-6-11-9/h1-6H
InChIKeyZHRICLVLJYQIAY-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-1,3-thiazole (CID 4683730) is 4-(2-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-1,3-thiazole is Fc1ccccc1-c1cscn1.
What is the InChIKey of 4-(2-fluorophenyl)-1,3-thiazole?
The InChIKey is ZHRICLVLJYQIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNS/c10-8-4-2-1-3-7(8)9-5-12-6-11-9/h1-6H.
What are the key properties of 4-(2-fluorophenyl)-1,3-thiazole?
4-(2-fluorophenyl)-1,3-thiazole has a molecular weight of 179.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 4683730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).