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

C17H11F2N3OS — CID 134180960

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccccc3s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H11F2N3OS/c1-9-6-10(16-22-11-4-2-3-5-13(11)24-16)15-12(7-9)21-14(8-20-15)23-17(18)19/h2-8,17H,1H3
InChIKeyROKWKFNOIGYUEP-UHFFFAOYSA-N
MW343.36 g/mol
LogP4.82
Rot. Bonds3

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

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole (PubChem CID 134180960) has the molecular formula C17H11F2N3OS and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
PubChem CID134180960
Molecular FormulaC17H11F2N3OS
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccccc3s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H11F2N3OS/c1-9-6-10(16-22-11-4-2-3-5-13(11)24-16)15-12(7-9)21-14(8-20-15)23-17(18)19/h2-8,17H,1H3
InChIKeyROKWKFNOIGYUEP-UHFFFAOYSA-N
XLogP4.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 54.82
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]-1,3-benzothiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole (CID 134180960) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole is Cc1cc(-c2nc3ccccc3s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
The InChIKey is ROKWKFNOIGYUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3OS/c1-9-6-10(16-22-11-4-2-3-5-13(11)24-16)15-12(7-9)21-14(8-20-15)23-17(18)19/h2-8,17H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazole has a molecular weight of 343.36 g/mol, XLogP of 4.82, 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]-1,3-benzothiazole is sourced from PubChem (CID 134180960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).