4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole

C12H12FNOS — CID 142639745

IUPAC4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole
SMILESFc1ccc(OCCCc2cscn2)cc1
InChIInChI=1S/C12H12FNOS/c13-10-3-5-12(6-4-10)15-7-1-2-11-8-16-9-14-11/h3-6,8-9H,1-2,7H2
InChIKeyKTLKOWDOGUGWIR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.29
Rot. Bonds5

About 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole

4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole (PubChem CID 142639745) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole
PubChem CID142639745
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole
SMILESFc1ccc(OCCCc2cscn2)cc1
InChIInChI=1S/C12H12FNOS/c13-10-3-5-12(6-4-10)15-7-1-2-11-8-16-9-14-11/h3-6,8-9H,1-2,7H2
InChIKeyKTLKOWDOGUGWIR-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole (CID 142639745) is 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole is Fc1ccc(OCCCc2cscn2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole?
The InChIKey is KTLKOWDOGUGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-10-3-5-12(6-4-10)15-7-1-2-11-8-16-9-14-11/h3-6,8-9H,1-2,7H2.
What are the key properties of 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole?
4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 142639745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).