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

C19H12ClF2N3OS — CID 134175301

IUPAC5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2ncc(-c3cccc(Cl)c3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H12ClF2N3OS/c1-10-5-13(17-14(6-10)25-16(9-23-17)26-19(21)22)18-24-8-15(27-18)11-3-2-4-12(20)7-11/h2-9,19H,1H3
InChIKeyGFJWAOHXFJPXKL-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.98
Rot. Bonds4

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

5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (PubChem CID 134175301) has the molecular formula C19H12ClF2N3OS and a molecular weight of 403.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
PubChem CID134175301
Molecular FormulaC19H12ClF2N3OS
Molecular Weight403.84 g/mol
Exact Mass403.04
IUPAC Name5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2ncc(-c3cccc(Cl)c3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H12ClF2N3OS/c1-10-5-13(17-14(6-10)25-16(9-23-17)26-19(21)22)18-24-8-15(27-18)11-3-2-4-12(20)7-11/h2-9,19H,1H3
InChIKeyGFJWAOHXFJPXKL-UHFFFAOYSA-N
XLogP5.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (CID 134175301) is 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is Cc1cc(-c2ncc(-c3cccc(Cl)c3)s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The InChIKey is GFJWAOHXFJPXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3OS/c1-10-5-13(17-14(6-10)25-16(9-23-17)26-19(21)22)18-24-8-15(27-18)11-3-2-4-12(20)7-11/h2-9,19H,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole has a molecular weight of 403.84 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is sourced from PubChem (CID 134175301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).