2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole

C19H15F2N3O2S — CID 134180765

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
SMILESCOc1cc(C)cc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12
InChIInChI=1S/C19H15F2N3O2S/c1-9-4-11(16-12(5-9)23-15(8-22-16)26-19(20)21)18-24-17-13(25-3)6-10(2)7-14(17)27-18/h4-8,19H,1-3H3
InChIKeyKLDUSLGSZOPMDC-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.13
Rot. Bonds4

About 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole (PubChem CID 134180765) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
PubChem CID134180765
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
SMILESCOc1cc(C)cc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12
InChIInChI=1S/C19H15F2N3O2S/c1-9-4-11(16-12(5-9)23-15(8-22-16)26-19(20)21)18-24-17-13(25-3)6-10(2)7-14(17)27-18/h4-8,19H,1-3H3
InChIKeyKLDUSLGSZOPMDC-UHFFFAOYSA-N
XLogP5.13
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
CID 134175498
2-(difluoromethoxy)-5-(3-fluoro-4-methoxyphenyl)-7-methylquinoxaline
CID 135271889
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-4-yl-1,3-thiazole
CID 134175452
2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
CID 137300952
[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate
CID 175372464
4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
CID 139522691
2,2,2-trifluoro-1-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134181452
2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134181058
2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
(2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 134180418
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
tert-butyl N-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-7-yl]oxy]-N-ethylcarbamate
CID 175372454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole (CID 134180765) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole is COc1cc(C)cc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole?
The InChIKey is KLDUSLGSZOPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-9-4-11(16-12(5-9)23-15(8-22-16)26-19(20)21)18-24-17-13(25-3)6-10(2)7-14(17)27-18/h4-8,19H,1-3H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole has a molecular weight of 387.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 134180765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).