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

C18H12F2N4OS — CID 134174805

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole
SMILESCc1cc(-c2ncc(-c3cccnc3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C18H12F2N4OS/c1-10-5-12(16-13(6-10)24-15(9-22-16)25-18(19)20)17-23-8-14(26-17)11-3-2-4-21-7-11/h2-9,18H,1H3
InChIKeyVNNWJZDZGJZSDO-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.73
Rot. Bonds4

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

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole (PubChem CID 134174805) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole
PubChem CID134174805
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole
SMILESCc1cc(-c2ncc(-c3cccnc3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C18H12F2N4OS/c1-10-5-12(16-13(6-10)24-15(9-22-16)25-18(19)20)17-23-8-14(26-17)11-3-2-4-21-7-11/h2-9,18H,1H3
InChIKeyVNNWJZDZGJZSDO-UHFFFAOYSA-N
XLogP4.73
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.73
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]-5-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole (CID 134174805) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole is Cc1cc(-c2ncc(-c3cccnc3)s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole?
The InChIKey is VNNWJZDZGJZSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c1-10-5-12(16-13(6-10)24-15(9-22-16)25-18(19)20)17-23-8-14(26-17)11-3-2-4-21-7-11/h2-9,18H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 370.38 g/mol, XLogP of 4.73, 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]-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 134174805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).