2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole

C31H20N2OS2 — CID 23382118

IUPAC2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole
SMILESc1ccc(COc2cc3ccc(-c4nc5ccccc5s4)cc3cc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C31H20N2OS2/c1-2-8-20(9-3-1)19-34-27-18-21-14-15-22(30-32-25-10-4-6-12-28(25)35-30)16-23(21)17-24(27)31-33-26-11-5-7-13-29(26)36-31/h1-18H,19H2
InChIKeySGKFHFVPVIQVQG-UHFFFAOYSA-N
MW500.65 g/mol
LogP8.97
Rot. Bonds5

About 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole

2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole (PubChem CID 23382118) has the molecular formula C31H20N2OS2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole
PubChem CID23382118
Molecular FormulaC31H20N2OS2
Molecular Weight500.65 g/mol
Exact Mass500.10
IUPAC Name2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole
SMILESc1ccc(COc2cc3ccc(-c4nc5ccccc5s4)cc3cc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C31H20N2OS2/c1-2-8-20(9-3-1)19-34-27-18-21-14-15-22(30-32-25-10-4-6-12-28(25)35-30)16-23(21)17-24(27)31-33-26-11-5-7-13-29(26)36-31/h1-18H,19H2
InChIKeySGKFHFVPVIQVQG-UHFFFAOYSA-N
XLogP8.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-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

Related Compounds

2-[1-(1,3-Benzothiazol-2-yl)-2-(3-phenyl-1,4-benzodioxin-2-yl)ethenyl]-1,3-benzothiazole
CID 3588339
2-[1-(1,3-Benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,3-benzothiazole
CID 4611582
2-[1-(1,3-Benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 5011383
2-Benzoxy-5-(2-methylbenzo[d]thiazol-5-yl)benzonitrile
CID 46888043
2-[3-[5-(2-Naphthalen-1-ylethoxy)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl]propylsulfanyl]-1,3-benzothiazole
CID 85343311
4-[3-(1,3-benzothiazol-2-yl)-2-iminochromen-7-yl]-N,N-dimethylaniline
CID 168288474
2-[[2-Methyl-3-(2-methylpropoxy)phenyl]methylsulfanyl]-1,3-benzothiazole
CID 11121462
2-[[2-Methyl-3-(2-methylpropoxy)phenyl]methoxy]-1,3-benzothiazole
CID 11099488
2-[2-[2-Methyl-3-(2-methylpropoxy)phenyl]ethyl]-1,3-benzothiazole
CID 44356673
2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-benzothiazole
CID 44373311
2-[2-(1,3-Benzothiazol-2-yl)-1-(3-phenylmethoxyphenyl)ethyl]naphthalen-1-ol
CID 171347785
2-[2-(1,3-Benzothiazol-2-yl)-1-(2-phenylmethoxyphenyl)ethyl]naphthalen-1-ol
CID 171353903

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole (CID 23382118) is 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole is c1ccc(COc2cc3ccc(-c4nc5ccccc5s4)cc3cc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole?
The InChIKey is SGKFHFVPVIQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2OS2/c1-2-8-20(9-3-1)19-34-27-18-21-14-15-22(30-32-25-10-4-6-12-28(25)35-30)16-23(21)17-24(27)31-33-26-11-5-7-13-29(26)36-31/h1-18H,19H2.
What are the key properties of 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole?
2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole has a molecular weight of 500.65 g/mol, XLogP of 8.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,3-benzothiazol-2-yl)-3-phenylmethoxynaphthalen-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 23382118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).