2-fluoro-4-phenyl-1,3-thiazole

C9H6FNS — CID 91503427

IUPAC2-fluoro-4-phenyl-1,3-thiazole
SMILESFc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6FNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyUNYUZPYLOMBHMN-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.95
Rot. Bonds1

About 2-fluoro-4-phenyl-1,3-thiazole

2-fluoro-4-phenyl-1,3-thiazole (PubChem CID 91503427) has the molecular formula C9H6FNS and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-fluoro-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-4-phenyl-1,3-thiazole
PubChem CID91503427
Molecular FormulaC9H6FNS
Molecular Weight179.22 g/mol
Exact Mass179.02
IUPAC Name2-fluoro-4-phenyl-1,3-thiazole
SMILESFc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6FNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyUNYUZPYLOMBHMN-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 2-fluoro-4-phenyl-1,3-thiazole?
The IUPAC name of 2-fluoro-4-phenyl-1,3-thiazole (CID 91503427) is 2-fluoro-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-fluoro-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-fluoro-4-phenyl-1,3-thiazole is Fc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-fluoro-4-phenyl-1,3-thiazole?
The InChIKey is UNYUZPYLOMBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-fluoro-4-phenyl-1,3-thiazole?
2-fluoro-4-phenyl-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 2-fluoro-4-phenyl-1,3-thiazole is sourced from PubChem (CID 91503427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).