5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole

C18H15N3O2S — CID 175511903

IUPAC5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3cc(C)cc4cc(OC)nnc34)nc2c1
InChIInChI=1S/C18H15N3O2S/c1-10-6-11-8-16(23-3)20-21-17(11)13(7-10)18-19-14-9-12(22-2)4-5-15(14)24-18/h4-9H,1-3H3
InChIKeyJBXLPENOSBSKJJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.23
Rot. Bonds3

About 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole

5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole (PubChem CID 175511903) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole
PubChem CID175511903
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3cc(C)cc4cc(OC)nnc34)nc2c1
InChIInChI=1S/C18H15N3O2S/c1-10-6-11-8-16(23-3)20-21-17(11)13(7-10)18-19-14-9-12(22-2)4-5-15(14)24-18/h4-9H,1-3H3
InChIKeyJBXLPENOSBSKJJ-UHFFFAOYSA-N
XLogP4.23
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole?
The IUPAC name of 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole (CID 175511903) is 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole?
The canonical SMILES for 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole is COc1ccc2sc(-c3cc(C)cc4cc(OC)nnc34)nc2c1.
What is the InChIKey of 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole?
The InChIKey is JBXLPENOSBSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-6-11-8-16(23-3)20-21-17(11)13(7-10)18-19-14-9-12(22-2)4-5-15(14)24-18/h4-9H,1-3H3.
What are the key properties of 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole?
5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole has a molecular weight of 337.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole is sourced from PubChem (CID 175511903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).