2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole

C9H8FNS — CID 3024538

IUPAC2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(C2=NCCS2)cc1
InChIInChI=1S/C9H8FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyXPSSLMFXRUOVPF-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.32
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole

2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 3024538) has the molecular formula C9H8FNS and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole
PubChem CID3024538
Molecular FormulaC9H8FNS
Molecular Weight181.24 g/mol
Exact Mass181.04
IUPAC Name2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(C2=NCCS2)cc1
InChIInChI=1S/C9H8FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyXPSSLMFXRUOVPF-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole (CID 3024538) is 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole is Fc1ccc(C2=NCCS2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is XPSSLMFXRUOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole?
2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 181.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 3024538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).