2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole

C32H28N2O4S2 — CID 139219157

IUPAC2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)c(OCCOCCOCCOc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C32H28N2O4S2/c1-5-13-27(23(9-1)31-33-25-11-3-7-15-29(25)39-31)37-21-19-35-17-18-36-20-22-38-28-14-6-2-10-24(28)32-34-26-12-4-8-16-30(26)40-32/h1-16H,17-22H2
InChIKeyNLVLGZIZTVJVIL-UHFFFAOYSA-N
MW568.72 g/mol
LogP7.73
Rot. Bonds13

About 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole

2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole (PubChem CID 139219157) has the molecular formula C32H28N2O4S2 and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
PubChem CID139219157
Molecular FormulaC32H28N2O4S2
Molecular Weight568.72 g/mol
Exact Mass568.15
IUPAC Name2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)c(OCCOCCOCCOc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C32H28N2O4S2/c1-5-13-27(23(9-1)31-33-25-11-3-7-15-29(25)39-31)37-21-19-35-17-18-36-20-22-38-28-14-6-2-10-24(28)32-34-26-12-4-8-16-30(26)40-32/h1-16H,17-22H2
InChIKeyNLVLGZIZTVJVIL-UHFFFAOYSA-N
XLogP7.73
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-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-(2-Methoxyphenyl)benzothiazole
CID 95764
3-(2-Benzothiazolyl)coumarin
CID 395989
1-(1,3-Benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone
CID 9868259
Sodium 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pentanoate
CID 44341002
4,4-Bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pentanoic acid
CID 44341003
4-[6-(6-Methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
CID 44428897
4-(Benzothiazol-2-ylmethoxy)-benzo[b]thiophene-2-carboxamidine
CID 46233153
6-Ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
2-(2-Ethoxyphenyl)-1,3-benzothiazole
CID 95747
5-[2,2-Bis(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenol
CID 3972699
2-[1-(3-Phenoxypropyl)piperidin-4-yl]-1,3-benzothiazole
CID 17590403
2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole;hydrochloride
CID 44522100

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole (CID 139219157) is 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole is c1ccc(-c2nc3ccccc3s2)c(OCCOCCOCCOc2ccccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The InChIKey is NLVLGZIZTVJVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4S2/c1-5-13-27(23(9-1)31-33-25-11-3-7-15-29(25)39-31)37-21-19-35-17-18-36-20-22-38-28-14-6-2-10-24(28)32-34-26-12-4-8-16-30(26)40-32/h1-16H,17-22H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole has a molecular weight of 568.72 g/mol, XLogP of 7.73, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 139219157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).