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

C13H8BrF2N3OS — CID 134175424

IUPAC4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(Br)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C13H8BrF2N3OS/c1-6-2-7(12-19-9(14)5-21-12)11-8(3-6)18-10(4-17-11)20-13(15)16/h2-5,13H,1H3
InChIKeyGOZHCAXTEBMMSB-UHFFFAOYSA-N
MW372.19 g/mol
LogP4.43
Rot. Bonds3

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

4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (PubChem CID 134175424) has the molecular formula C13H8BrF2N3OS and a molecular weight of 372.19 g/mol. Its IUPAC name is 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
PubChem CID134175424
Molecular FormulaC13H8BrF2N3OS
Molecular Weight372.19 g/mol
Exact Mass370.95
IUPAC Name4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(Br)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C13H8BrF2N3OS/c1-6-2-7(12-19-9(14)5-21-12)11-8(3-6)18-10(4-17-11)20-13(15)16/h2-5,13H,1H3
InChIKeyGOZHCAXTEBMMSB-UHFFFAOYSA-N
XLogP4.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (CID 134175424) is 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is Cc1cc(-c2nc(Br)cs2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The InChIKey is GOZHCAXTEBMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3OS/c1-6-2-7(12-19-9(14)5-21-12)11-8(3-6)18-10(4-17-11)20-13(15)16/h2-5,13H,1H3.
What are the key properties of 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole has a molecular weight of 372.19 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is sourced from PubChem (CID 134175424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).