4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole

C18H12FN3S — CID 158996331

IUPAC4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
SMILESCc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1
InChIInChI=1S/C18H12FN3S/c1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15/h2-10H,1H3
InChIKeyCHXCZUFLQJGVNU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.87
Rot. Bonds2

About 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole

4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole (PubChem CID 158996331) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
PubChem CID158996331
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
SMILESCc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1
InChIInChI=1S/C18H12FN3S/c1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15/h2-10H,1H3
InChIKeyCHXCZUFLQJGVNU-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
CID 143754526
4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
CID 16730340
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590004
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
CID 67694221
4-chloro-2-methyl-5-quinolin-7-yl-1,3-thiazole
CID 175879221
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole (CID 158996331) is 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole is Cc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?
The InChIKey is CHXCZUFLQJGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15/h2-10H,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?
4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole has a molecular weight of 321.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole is sourced from PubChem (CID 158996331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).