5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole

C20H14N2O3S2 — CID 86116798

IUPAC5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3ccc(-c4nc5cc(OC)ccc5s4)o3)nc2c1
InChIInChI=1S/C20H14N2O3S2/c1-23-11-3-7-17-13(9-11)21-19(26-17)15-5-6-16(25-15)20-22-14-10-12(24-2)4-8-18(14)27-20/h3-10H,1-2H3
InChIKeyPSZCKJCVJXMUGA-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.85
Rot. Bonds4

About 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole

5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole (PubChem CID 86116798) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
PubChem CID86116798
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC Name5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3ccc(-c4nc5cc(OC)ccc5s4)o3)nc2c1
InChIInChI=1S/C20H14N2O3S2/c1-23-11-3-7-17-13(9-11)21-19(26-17)15-5-6-16(25-15)20-22-14-10-12(24-2)4-8-18(14)27-20/h3-10H,1-2H3
InChIKeyPSZCKJCVJXMUGA-UHFFFAOYSA-N
XLogP5.85
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-(5-methylfuran-2-yl)-1,3-benzothiazole-5-carboxylic acid
CID 12060395
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole
CID 175511903
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
5-methoxy-2-[4-[(E)-2-(4-nitrosophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 88927246
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111064322
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The IUPAC name of 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole (CID 86116798) is 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The canonical SMILES for 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole is COc1ccc2sc(-c3ccc(-c4nc5cc(OC)ccc5s4)o3)nc2c1.
What is the InChIKey of 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The InChIKey is PSZCKJCVJXMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c1-23-11-3-7-17-13(9-11)21-19(26-17)15-5-6-16(25-15)20-22-14-10-12(24-2)4-8-18(14)27-20/h3-10H,1-2H3.
What are the key properties of 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole has a molecular weight of 394.48 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 86116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).