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

C14H11F2N3OS — CID 134175303

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H11F2N3OS/c1-7-3-9(13-18-8(2)6-21-13)12-10(4-7)19-11(5-17-12)20-14(15)16/h3-6,14H,1-2H3
InChIKeyWXNNATVJGMDOEG-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.97
Rot. Bonds3

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

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole (PubChem CID 134175303) has the molecular formula C14H11F2N3OS and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
PubChem CID134175303
Molecular FormulaC14H11F2N3OS
Molecular Weight307.32 g/mol
Exact Mass307.06
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H11F2N3OS/c1-7-3-9(13-18-8(2)6-21-13)12-10(4-7)19-11(5-17-12)20-14(15)16/h3-6,14H,1-2H3
InChIKeyWXNNATVJGMDOEG-UHFFFAOYSA-N
XLogP3.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole (CID 134175303) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole is Cc1cc(-c2nc(C)cs2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is WXNNATVJGMDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-7-3-9(13-18-8(2)6-21-13)12-10(4-7)19-11(5-17-12)20-14(15)16/h3-6,14H,1-2H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 307.32 g/mol, XLogP of 3.97, 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]-4-methyl-1,3-thiazole is sourced from PubChem (CID 134175303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).