7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole

C20H19N3O2S — CID 134174989

IUPAC7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
SMILESCCc1c(OC)ccc2nc(-c3cc(C)cc4nc(OC)cnc34)sc12
InChIInChI=1S/C20H19N3O2S/c1-5-12-16(24-3)7-6-14-19(12)26-20(23-14)13-8-11(2)9-15-18(13)21-10-17(22-15)25-4/h6-10H,5H2,1-4H3
InChIKeySBIHVBBFJVEEHX-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.79
Rot. Bonds4

About 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole

7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole (PubChem CID 134174989) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
PubChem CID134174989
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
SMILESCCc1c(OC)ccc2nc(-c3cc(C)cc4nc(OC)cnc34)sc12
InChIInChI=1S/C20H19N3O2S/c1-5-12-16(24-3)7-6-14-19(12)26-20(23-14)13-8-11(2)9-15-18(13)21-10-17(22-15)25-4/h6-10H,5H2,1-4H3
InChIKeySBIHVBBFJVEEHX-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174328
2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174859
(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
CID 139580079
[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174788
4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole
CID 134174874
(2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 134180418
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbonochloridate
CID 134180802
N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide
CID 134175638
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580122
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580082

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole?
The IUPAC name of 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole (CID 134174989) is 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole?
The canonical SMILES for 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole is CCc1c(OC)ccc2nc(-c3cc(C)cc4nc(OC)cnc34)sc12.
What is the InChIKey of 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole?
The InChIKey is SBIHVBBFJVEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-5-12-16(24-3)7-6-14-19(12)26-20(23-14)13-8-11(2)9-15-18(13)21-10-17(22-15)25-4/h6-10H,5H2,1-4H3.
What are the key properties of 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole?
7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole has a molecular weight of 365.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 134174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).