2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol

C20H15F2N3O2S — CID 137300952

IUPAC2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cnc(-c3cc(C)cc4nc(OC(F)F)cnc34)s2)c1
InChIInChI=1S/C20H15F2N3O2S/c1-10-3-4-15(26)12(5-10)16-8-24-19(28-16)13-6-11(2)7-14-18(13)23-9-17(25-14)27-20(21)22/h3-9,20,26H,1-2H3
InChIKeyLBICURXYXNRMTK-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.34
Rot. Bonds4

About 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol

2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol (PubChem CID 137300952) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
PubChem CID137300952
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC Name2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cnc(-c3cc(C)cc4nc(OC(F)F)cnc34)s2)c1
InChIInChI=1S/C20H15F2N3O2S/c1-10-3-4-15(26)12(5-10)16-8-24-19(28-16)13-6-11(2)7-14-18(13)23-9-17(25-14)27-20(21)22/h3-9,20,26H,1-2H3
InChIKeyLBICURXYXNRMTK-UHFFFAOYSA-N
XLogP5.34
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-4-yl-1,3-thiazole
CID 134175452
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
CID 134175498
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
2-(difluoromethoxy)-5-(3-fluoro-4-methoxyphenyl)-7-methylquinoxaline
CID 135271889
2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
CID 126509096
[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134175013
2-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-2-yl-7-methylquinoxaline
CID 134180752
tert-butyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 134181131
4-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-(trifluoromethyl)benzaldehyde
CID 135275514
tert-butyl N-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-7-yl]oxy]-N-ethylcarbamate
CID 175372454
2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134181058
[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate
CID 175372464

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol?
The IUPAC name of 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol (CID 137300952) is 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol.
What is the SMILES notation for 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol?
The canonical SMILES for 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol is Cc1ccc(O)c(-c2cnc(-c3cc(C)cc4nc(OC(F)F)cnc34)s2)c1.
What is the InChIKey of 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol?
The InChIKey is LBICURXYXNRMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c1-10-3-4-15(26)12(5-10)16-8-24-19(28-16)13-6-11(2)7-14-18(13)23-9-17(25-14)27-20(21)22/h3-9,20,26H,1-2H3.
What are the key properties of 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol?
2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol has a molecular weight of 399.42 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol is sourced from PubChem (CID 137300952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).