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

C21H23N3O3S — CID 145443609

IUPACethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
SMILESCC.COc1cc(CO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C19H17N3O3S.C2H6/c1-10-4-13(18-14(5-10)21-16(25-3)8-20-18)19-22-17-11(9-23)6-12(24-2)7-15(17)26-19;1-2/h4-8,23H,9H2,1-3H3;1-2H3
InChIKeyADJHKBSRHNIGDR-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.75
Rot. Bonds4

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

ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol (PubChem CID 145443609) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol.

Molecular Properties

Compound Nameethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
PubChem CID145443609
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Nameethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
SMILESCC.COc1cc(CO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C19H17N3O3S.C2H6/c1-10-4-13(18-14(5-10)21-16(25-3)8-20-18)19-22-17-11(9-23)6-12(24-2)7-15(17)26-19;1-2/h4-8,23H,9H2,1-3H3;1-2H3
InChIKeyADJHKBSRHNIGDR-UHFFFAOYSA-N
XLogP4.75
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134180622
(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 139508381
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-[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-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbonochloridate
CID 134180802
(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
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908

Frequently Asked Questions

What is the IUPAC name of ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The IUPAC name of ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol (CID 145443609) is ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol.
What is the SMILES notation for ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The canonical SMILES for ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol is CC.COc1cc(CO)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1.
What is the InChIKey of ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The InChIKey is ADJHKBSRHNIGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S.C2H6/c1-10-4-13(18-14(5-10)21-16(25-3)8-20-18)19-22-17-11(9-23)6-12(24-2)7-15(17)26-19;1-2/h4-8,23H,9H2,1-3H3;1-2H3.
What are the key properties of ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol has a molecular weight of 397.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol is sourced from PubChem (CID 145443609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).