2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole

C13H9F2N3OS — CID 134175498

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C13H9F2N3OS/c1-7-4-8(12-16-2-3-20-12)11-9(5-7)18-10(6-17-11)19-13(14)15/h2-6,13H,1H3
InChIKeyGSWWWFNZWRLPBY-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.66
Rot. Bonds3

About 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (PubChem CID 134175498) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
PubChem CID134175498
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C13H9F2N3OS/c1-7-4-8(12-16-2-3-20-12)11-9(5-7)18-10(6-17-11)19-13(14)15/h2-6,13H,1H3
InChIKeyGSWWWFNZWRLPBY-UHFFFAOYSA-N
XLogP3.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
CID 137300952
2-(difluoromethoxy)-5-(3-fluoro-4-methoxyphenyl)-7-methylquinoxaline
CID 135271889
2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
CID 126509096
2-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-2-yl-7-methylquinoxaline
CID 134180752
4-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-(trifluoromethyl)benzaldehyde
CID 135275514
2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134181058
[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134175013
tert-butyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 134181131
tert-butyl N-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-7-yl]oxy]-N-ethylcarbamate
CID 175372454
2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline
CID 134181155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (CID 134175498) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is Cc1cc(-c2nccs2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The InChIKey is GSWWWFNZWRLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-7-4-8(12-16-2-3-20-12)11-9(5-7)18-10(6-17-11)19-13(14)15/h2-6,13H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole has a molecular weight of 293.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is sourced from PubChem (CID 134175498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).