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

C14H10BrF2N3OS — CID 134174780

IUPAC5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)c(Br)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H10BrF2N3OS/c1-6-3-8(13-19-7(2)12(15)22-13)11-9(4-6)20-10(5-18-11)21-14(16)17/h3-5,14H,1-2H3
InChIKeyGHCIDYRNMHLJSY-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.73
Rot. Bonds3

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

5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole (PubChem CID 134174780) has the molecular formula C14H10BrF2N3OS and a molecular weight of 386.22 g/mol. Its IUPAC name is 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
PubChem CID134174780
Molecular FormulaC14H10BrF2N3OS
Molecular Weight386.22 g/mol
Exact Mass384.97
IUPAC Name5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)c(Br)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H10BrF2N3OS/c1-6-3-8(13-19-7(2)12(15)22-13)11-9(4-6)20-10(5-18-11)21-14(16)17/h3-5,14H,1-2H3
InChIKeyGHCIDYRNMHLJSY-UHFFFAOYSA-N
XLogP4.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole (CID 134174780) is 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole is Cc1cc(-c2nc(C)c(Br)s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is GHCIDYRNMHLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3OS/c1-6-3-8(13-19-7(2)12(15)22-13)11-9(4-6)20-10(5-18-11)21-14(16)17/h3-5,14H,1-2H3.
What are the key properties of 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 386.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 134174780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).