2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole

C18H13F2N3O2S — CID 134180767

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12
InChIInChI=1S/C18H13F2N3O2S/c1-9-6-10(15-11(7-9)22-14(8-21-15)25-18(19)20)17-23-16-12(24-2)4-3-5-13(16)26-17/h3-8,18H,1-2H3
InChIKeyDKNSOEOLKOLDKK-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.82
Rot. Bonds4

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

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole (PubChem CID 134180767) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole
PubChem CID134180767
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12
InChIInChI=1S/C18H13F2N3O2S/c1-9-6-10(15-11(7-9)22-14(8-21-15)25-18(19)20)17-23-16-12(24-2)4-3-5-13(16)26-17/h3-8,18H,1-2H3
InChIKeyDKNSOEOLKOLDKK-UHFFFAOYSA-N
XLogP4.82
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole (CID 134180767) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole is COc1cccc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole?
The InChIKey is DKNSOEOLKOLDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c1-9-6-10(15-11(7-9)22-14(8-21-15)25-18(19)20)17-23-16-12(24-2)4-3-5-13(16)26-17/h3-8,18H,1-2H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole has a molecular weight of 373.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 134180767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).