2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol

C20H19N3O3S — CID 134180622

IUPAC2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
SMILESCOc1cc(CCO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-11-6-14(19-15(7-11)22-17(26-3)10-21-19)20-23-18-12(4-5-24)8-13(25-2)9-16(18)27-20/h6-10,24H,4-5H2,1-3H3
InChIKeyVDPMCENXTDGKAD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.77
Rot. Bonds5

About 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol

2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol (PubChem CID 134180622) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
PubChem CID134180622
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
SMILESCOc1cc(CCO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-11-6-14(19-15(7-11)22-17(26-3)10-21-19)20-23-18-12(4-5-24)8-13(25-2)9-16(18)27-20/h6-10,24H,4-5H2,1-3H3
InChIKeyVDPMCENXTDGKAD-UHFFFAOYSA-N
XLogP3.77
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol with MolForge

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Related Compounds

ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
2,2,2-trifluoro-1-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134181452
[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol
CID 139508424
(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 139508381
1-[hydroxy-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methyl]cyclobutane-1-carboxylic acid
CID 155057669
1-[5-(6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-7-methylquinoxalin-2-yl]-N,N-dimethylmethanamine
CID 134181346
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbonochloridate
CID 134180802
2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908
(2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 134180418
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
cyclohexyl-[6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-4-yl]methanol
CID 134181355

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol?
The IUPAC name of 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol (CID 134180622) is 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol.
What is the SMILES notation for 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol?
The canonical SMILES for 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol is COc1cc(CCO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1.
What is the InChIKey of 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol?
The InChIKey is VDPMCENXTDGKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11-6-14(19-15(7-11)22-17(26-3)10-21-19)20-23-18-12(4-5-24)8-13(25-2)9-16(18)27-20/h6-10,24H,4-5H2,1-3H3.
What are the key properties of 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol?
2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol has a molecular weight of 381.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol is sourced from PubChem (CID 134180622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).