4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole

C12H11F2NOS — CID 141135135

IUPAC4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1cccc(F)c1OCCCc1cscn1
InChIInChI=1S/C12H11F2NOS/c13-10-4-1-5-11(14)12(10)16-6-2-3-9-7-17-8-15-9/h1,4-5,7-8H,2-3,6H2
InChIKeyVWGUTAPOKPZGBD-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.43
Rot. Bonds5

About 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole

4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole (PubChem CID 141135135) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole
PubChem CID141135135
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1cccc(F)c1OCCCc1cscn1
InChIInChI=1S/C12H11F2NOS/c13-10-4-1-5-11(14)12(10)16-6-2-3-9-7-17-8-15-9/h1,4-5,7-8H,2-3,6H2
InChIKeyVWGUTAPOKPZGBD-UHFFFAOYSA-N
XLogP3.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.43
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-(2,6-difluorophenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole (CID 141135135) is 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole is Fc1cccc(F)c1OCCCc1cscn1.
What is the InChIKey of 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole?
The InChIKey is VWGUTAPOKPZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c13-10-4-1-5-11(14)12(10)16-6-2-3-9-7-17-8-15-9/h1,4-5,7-8H,2-3,6H2.
What are the key properties of 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole?
4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole has a molecular weight of 255.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 141135135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).