4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

C28H18N2S2 — CID 155531845

IUPAC4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5cccc6ccccc56)cs4)cc3)cs2)cc1
InChIInChI=1S/C28H18N2S2/c1-2-8-21(9-3-1)27-29-25(17-31-27)20-13-15-22(16-14-20)28-30-26(18-32-28)24-12-6-10-19-7-4-5-11-23(19)24/h1-18H
InChIKeyPLCQHXUJSMZCCO-UHFFFAOYSA-N
MW446.60 g/mol
LogP8.42
Rot. Bonds4

About 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 155531845) has the molecular formula C28H18N2S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID155531845
Molecular FormulaC28H18N2S2
Molecular Weight446.60 g/mol
Exact Mass446.09
IUPAC Name4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5cccc6ccccc56)cs4)cc3)cs2)cc1
InChIInChI=1S/C28H18N2S2/c1-2-8-21(9-3-1)27-29-25(17-31-27)20-13-15-22(16-14-20)28-30-26(18-32-28)24-12-6-10-19-7-4-5-11-23(19)24/h1-18H
InChIKeyPLCQHXUJSMZCCO-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-1,2,3-thiadiazole
CID 2815209
4-(2,4-Dimethylphenyl)-2-methyl-1,3-thiazole
CID 2798044
5-Methylsulfanyl-4-(4-naphthalen-2-yl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537298
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 1473456
4-(4-Biphenylyl)-2-methylthiazole
CID 90635
4-(4-Methylphenyl)-2-phenyl-1,3-thiazole
CID 715103
US9969726, Example 1
CID 130289075
US9969726, Example 15
CID 130289102
US9969726, Example 9
CID 130289521
(2E)-2-(4-[1,1'-biphenyl]-4-yl-1,3-thiazol-2-yl)-3-(4-methylphenyl)-2-propenenitrile
CID 5331845
(E)-3-(4-fluorophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 5859437
2-{[4-(2-Naphthyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482061

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 155531845) is 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is c1ccc(-c2nc(-c3ccc(-c4nc(-c5cccc6ccccc56)cs4)cc3)cs2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is PLCQHXUJSMZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2S2/c1-2-8-21(9-3-1)27-29-25(17-31-27)20-13-15-22(16-14-20)28-30-26(18-32-28)24-12-6-10-19-7-4-5-11-23(19)24/h1-18H.
What are the key properties of 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole has a molecular weight of 446.60 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 155531845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).