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

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Related Compounds

2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-(4-anthracen-1-ylphenyl)-1,3-benzothiazole
CID 175107833
[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol
CID 56715205
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 174247496
[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 132514009
2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]aniline
CID 110826350
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-[6-[4-(2-methylbutan-2-yl)phenyl]pyren-1-yl]-1,3-benzothiazole
CID 163972781
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[4-[8-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-diphenylquinoxalin-5-yl]phenyl]-1,3-benzothiazole
CID 58161743

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).