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

C19H13F2N3OS — CID 134174790

IUPAC5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole
SMILESCc1cc(-c2cnc(-c3ccccc3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H13F2N3OS/c1-11-7-13(15-9-23-18(26-15)12-5-3-2-4-6-12)17-14(8-11)24-16(10-22-17)25-19(20)21/h2-10,19H,1H3
InChIKeyHWENIHCSOOMUDU-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.33
Rot. Bonds4

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

5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole (PubChem CID 134174790) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole
PubChem CID134174790
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole
SMILESCc1cc(-c2cnc(-c3ccccc3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H13F2N3OS/c1-11-7-13(15-9-23-18(26-15)12-5-3-2-4-6-12)17-14(8-11)24-16(10-22-17)25-19(20)21/h2-10,19H,1H3
InChIKeyHWENIHCSOOMUDU-UHFFFAOYSA-N
XLogP5.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole (CID 134174790) is 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole is Cc1cc(-c2cnc(-c3ccccc3)s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole?
The InChIKey is HWENIHCSOOMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c1-11-7-13(15-9-23-18(26-15)12-5-3-2-4-6-12)17-14(8-11)24-16(10-22-17)25-19(20)21/h2-10,19H,1H3.
What are the key properties of 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole?
5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole has a molecular weight of 369.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 134174790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).