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

C15H11F2N3O3S — CID 134175426

IUPACmethyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cc(C)cc3nc(OC(F)F)cnc23)n1
InChIInChI=1S/C15H11F2N3O3S/c1-7-3-8(13-20-10(6-24-13)14(21)22-2)12-9(4-7)19-11(5-18-12)23-15(16)17/h3-6,15H,1-2H3
InChIKeyMEOMVDYYKNGCMA-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.45
Rot. Bonds4

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

methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate (PubChem CID 134175426) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate
PubChem CID134175426
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Namemethyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cc(C)cc3nc(OC(F)F)cnc23)n1
InChIInChI=1S/C15H11F2N3O3S/c1-7-3-8(13-20-10(6-24-13)14(21)22-2)12-9(4-7)19-11(5-18-12)23-15(16)17/h3-6,15H,1-2H3
InChIKeyMEOMVDYYKNGCMA-UHFFFAOYSA-N
XLogP3.45
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate (CID 134175426) is methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2cc(C)cc3nc(OC(F)F)cnc23)n1.
What is the InChIKey of methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is MEOMVDYYKNGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-7-3-8(13-20-10(6-24-13)14(21)22-2)12-9(4-7)19-11(5-18-12)23-15(16)17/h3-6,15H,1-2H3.
What are the key properties of methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 351.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134175426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).