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

C28H18N2S2 — CID 162648647

IUPAC4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5cccc6ccccc56)cs4)c3)cs2)cc1
InChIInChI=1S/C28H18N2S2/c1-2-9-20(10-3-1)27-29-25(17-31-27)21-12-6-13-22(16-21)28-30-26(18-32-28)24-15-7-11-19-8-4-5-14-23(19)24/h1-18H
InChIKeyBXKLSYUWCBKPKN-UHFFFAOYSA-N
MW446.60 g/mol
LogP8.42
Rot. Bonds4

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

4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 162648647) has the molecular formula C28H18N2S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID162648647
Molecular FormulaC28H18N2S2
Molecular Weight446.60 g/mol
Exact Mass446.09
IUPAC Name4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5cccc6ccccc56)cs4)c3)cs2)cc1
InChIInChI=1S/C28H18N2S2/c1-2-9-20(10-3-1)27-29-25(17-31-27)21-12-6-13-22(16-21)28-30-26(18-32-28)24-15-7-11-19-8-4-5-14-23(19)24/h1-18H
InChIKeyBXKLSYUWCBKPKN-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
5-Methylsulfanyl-4-(4-naphthalen-2-yl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537298
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
2-{[4-(2-Naphthyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482061
4-(1-Adamantyl)-2-(4-tert-butylphenyl)-1,3-thiazole
CID 2747364
(3,4-Difluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanamine
CID 49789213
4-(Benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
CID 155550602
[2-[4-(1-Adamantyl)phenyl]-1,3-thiazol-4-yl]methyl thiocyanate
CID 162666888
4-(2-Naphthyl)-2-phenyl-1,3-thiazole
CID 7573709

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 162648647) is 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is c1ccc(-c2nc(-c3cccc(-c4nc(-c5cccc6ccccc56)cs4)c3)cs2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is BXKLSYUWCBKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2S2/c1-2-9-20(10-3-1)27-29-25(17-31-27)21-12-6-13-22(16-21)28-30-26(18-32-28)24-15-7-11-19-8-4-5-14-23(19)24/h1-18H.
What are the key properties of 4-naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
4-naphthalen-1-yl-2-[3-(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-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 162648647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).