2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole

C38H20N4O2S2 — CID 169314056

IUPAC2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole
SMILESc1ccc2cc(-c3ncc(-c4nc5cc6cc7sc(-c8cnc(-c9ccc%10ccccc%10c9)o8)nc7cc6cc5s4)o3)ccc2c1
InChIInChI=1S/C38H20N4O2S2/c1-3-7-23-13-25(11-9-21(23)5-1)35-39-19-31(43-35)37-41-29-15-27-18-34-30(16-28(27)17-33(29)45-37)42-38(46-34)32-20-40-36(44-32)26-12-10-22-6-2-4-8-24(22)14-26/h1-20H
InChIKeyXOAVOPCMVSMZER-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.01
Rot. Bonds4

About 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole

2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole (PubChem CID 169314056) has the molecular formula C38H20N4O2S2 and a molecular weight of 628.74 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole
PubChem CID169314056
Molecular FormulaC38H20N4O2S2
Molecular Weight628.74 g/mol
Exact Mass628.10
IUPAC Name2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole
SMILESc1ccc2cc(-c3ncc(-c4nc5cc6cc7sc(-c8cnc(-c9ccc%10ccccc%10c9)o8)nc7cc6cc5s4)o3)ccc2c1
InChIInChI=1S/C38H20N4O2S2/c1-3-7-23-13-25(11-9-21(23)5-1)35-39-19-31(43-35)37-41-29-15-27-18-34-30(16-28(27)17-33(29)45-37)42-38(46-34)32-20-40-36(44-32)26-12-10-22-6-2-4-8-24(22)14-26/h1-20H
InChIKeyXOAVOPCMVSMZER-UHFFFAOYSA-N
XLogP11.01
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole with MolForge

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Related Compounds

(6-Phenyl-1,3-benzothiazol-2-yl)-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanone
CID 118322758
N-(4-benzo[f][1,3]benzothiazol-2-ylphenyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)aniline
CID 163656216
methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole
CID 159630054
5-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 162208146
2,7-Bis[4-[2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazol-5-yl]phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169313990
2,7-Bis[2-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169313997
[2-[7-[5-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-oxazol-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazol-5-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314008
7-[5-(2,3,5,6-Tetrafluoro-4-pyridinyl)-1,3-thiazol-2-yl]-17-[5-(2,3,5-trifluoro-4-pyridinyl)-1,3-thiazol-2-yl]-6,16-dioxa-8,18-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 169314117
2,7-Bis[2-(5-fluoro-1-benzofuran-2-yl)-1,3-thiazol-5-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314133
[5-[7-[2-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-thiazol-5-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazol-2-yl]-1,3-thiazol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314146
2,3,5,6-Tetrafluoro-4-[2-[17-[5-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-1,3-thiazol-2-yl]-6,16-dioxa-8,18-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaen-7-yl]-1,3-thiazol-5-yl]benzonitrile
CID 169314165

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole (CID 169314056) is 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole is c1ccc2cc(-c3ncc(-c4nc5cc6cc7sc(-c8cnc(-c9ccc%10ccccc%10c9)o8)nc7cc6cc5s4)o3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole?
The InChIKey is XOAVOPCMVSMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O2S2/c1-3-7-23-13-25(11-9-21(23)5-1)35-39-19-31(43-35)37-41-29-15-27-18-34-30(16-28(27)17-33(29)45-37)42-38(46-34)32-20-40-36(44-32)26-12-10-22-6-2-4-8-24(22)14-26/h1-20H.
What are the key properties of 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole?
2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole has a molecular weight of 628.74 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-[7-(2-naphthalen-2-yl-1,3-oxazol-5-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 169314056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).