5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one

C18H16N2O4S2 — CID 123883423

IUPAC5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
SMILESCOc1ccc2sn(CCn3sc4ccc(OC)cc4c3=O)c(=O)c2c1
InChIInChI=1S/C18H16N2O4S2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVQHGOWGLZNDBQW-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.16
Rot. Bonds5

About 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one

5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one (PubChem CID 123883423) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
PubChem CID123883423
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
SMILESCOc1ccc2sn(CCn3sc4ccc(OC)cc4c3=O)c(=O)c2c1
InChIInChI=1S/C18H16N2O4S2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVQHGOWGLZNDBQW-UHFFFAOYSA-N
XLogP3.16
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one?
The IUPAC name of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one (CID 123883423) is 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one is COc1ccc2sn(CCn3sc4ccc(OC)cc4c3=O)c(=O)c2c1.
What is the InChIKey of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one?
The InChIKey is VQHGOWGLZNDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one?
5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one has a molecular weight of 388.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 123883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).