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

C9H6FNS — CID 10511725

IUPAC2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H6FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
InChIKeyWZAFKSDODCFYPN-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.95
Rot. Bonds1

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

2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 10511725) has the molecular formula C9H6FNS and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-thiazole
PubChem CID10511725
Molecular FormulaC9H6FNS
Molecular Weight179.22 g/mol
Exact Mass179.02
IUPAC Name2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H6FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
InChIKeyWZAFKSDODCFYPN-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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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
Thiazole, 4-phenyl-
CID 74581
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-Bromo-2-phenyl-1,3-thiazole
CID 13546649
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
3-Thiazol-2-yl-pyridine
CID 11182787
2,5-Diphenylthiazole
CID 3014233

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-1,3-thiazole (CID 10511725) is 2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is WZAFKSDODCFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H.
What are the key properties of 2-(4-fluorophenyl)-1,3-thiazole?
2-(4-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 2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 10511725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).