2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole

C15H12FNOS2 — CID 606635

IUPAC2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole
SMILESFc1ccccc1OCCSc1nc2ccccc2s1
InChIInChI=1S/C15H12FNOS2/c16-11-5-1-3-7-13(11)18-9-10-19-15-17-12-6-2-4-8-14(12)20-15/h1-8H,9-10H2
InChIKeySUGVAAHYSKJZOJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.61
Rot. Bonds5

About 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole

2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole (PubChem CID 606635) has the molecular formula C15H12FNOS2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole
PubChem CID606635
Molecular FormulaC15H12FNOS2
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole
SMILESFc1ccccc1OCCSc1nc2ccccc2s1
InChIInChI=1S/C15H12FNOS2/c16-11-5-1-3-7-13(11)18-9-10-19-15-17-12-6-2-4-8-14(12)20-15/h1-8H,9-10H2
InChIKeySUGVAAHYSKJZOJ-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole (CID 606635) is 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole is Fc1ccccc1OCCSc1nc2ccccc2s1.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole?
The InChIKey is SUGVAAHYSKJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS2/c16-11-5-1-3-7-13(11)18-9-10-19-15-17-12-6-2-4-8-14(12)20-15/h1-8H,9-10H2.
What are the key properties of 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole?
2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole has a molecular weight of 305.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)ethylsulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 606635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).