6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole

C20H19N3O2S — CID 139522795

IUPAC6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole
SMILESCOCc1cnc2c(-c3nc4cc(C)c(OC)cc4s3)cc(C)cc2n1
InChIInChI=1S/C20H19N3O2S/c1-11-5-14(19-16(6-11)22-13(9-21-19)10-24-3)20-23-15-7-12(2)17(25-4)8-18(15)26-20/h5-9H,10H2,1-4H3
InChIKeyTUUPRQCUKVZIFJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.68
Rot. Bonds4

About 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole

6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole (PubChem CID 139522795) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole
PubChem CID139522795
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole
SMILESCOCc1cnc2c(-c3nc4cc(C)c(OC)cc4s3)cc(C)cc2n1
InChIInChI=1S/C20H19N3O2S/c1-11-5-14(19-16(6-11)22-13(9-21-19)10-24-3)20-23-15-7-12(2)17(25-4)8-18(15)26-20/h5-9H,10H2,1-4H3
InChIKeyTUUPRQCUKVZIFJ-UHFFFAOYSA-N
XLogP4.68
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole (CID 139522795) is 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole is COCc1cnc2c(-c3nc4cc(C)c(OC)cc4s3)cc(C)cc2n1.
What is the InChIKey of 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole?
The InChIKey is TUUPRQCUKVZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-11-5-14(19-16(6-11)22-13(9-21-19)10-24-3)20-23-15-7-12(2)17(25-4)8-18(15)26-20/h5-9H,10H2,1-4H3.
What are the key properties of 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole?
6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole has a molecular weight of 365.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 139522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).