2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole

C23H14FNS — CID 171056267

IUPAC2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4s3)c3ccccc23)cc1
InChIInChI=1S/C23H14FNS/c24-16-11-9-15(10-12-16)17-13-14-20(19-6-2-1-5-18(17)19)23-25-21-7-3-4-8-22(21)26-23/h1-14H
InChIKeyXNRHDJPLAIMKSK-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.92
Rot. Bonds2

About 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole

2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole (PubChem CID 171056267) has the molecular formula C23H14FNS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
PubChem CID171056267
Molecular FormulaC23H14FNS
Molecular Weight355.44 g/mol
Exact Mass355.08
IUPAC Name2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4s3)c3ccccc23)cc1
InChIInChI=1S/C23H14FNS/c24-16-11-9-15(10-12-16)17-13-14-20(19-6-2-1-5-18(17)19)23-25-21-7-3-4-8-22(21)26-23/h1-14H
InChIKeyXNRHDJPLAIMKSK-UHFFFAOYSA-N
XLogP6.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole (CID 171056267) is 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole is Fc1ccc(-c2ccc(-c3nc4ccccc4s3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole?
The InChIKey is XNRHDJPLAIMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNS/c24-16-11-9-15(10-12-16)17-13-14-20(19-6-2-1-5-18(17)19)23-25-21-7-3-4-8-22(21)26-23/h1-14H.
What are the key properties of 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole?
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole has a molecular weight of 355.44 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 171056267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).