2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole

C22H20BrFN2S2 — CID 143754526

IUPAC2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1cccc(-c2sc(Br)nc2C)c1.Cc1nc(-c2cccc(F)c2)c(C)s1
InChIInChI=1S/C11H10BrNS.C11H10FNS/c1-7-4-3-5-9(6-7)10-8(2)13-11(12)14-10;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h2*3-6H,1-2H3
InChIKeyCAKCRWGNGXBKQD-UHFFFAOYSA-N
MW475.45 g/mol
LogP7.76
Rot. Bonds2

About 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole

2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 143754526) has the molecular formula C22H20BrFN2S2 and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
PubChem CID143754526
Molecular FormulaC22H20BrFN2S2
Molecular Weight475.45 g/mol
Exact Mass474.02
IUPAC Name2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1cccc(-c2sc(Br)nc2C)c1.Cc1nc(-c2cccc(F)c2)c(C)s1
InChIInChI=1S/C11H10BrNS.C11H10FNS/c1-7-4-3-5-9(6-7)10-8(2)13-11(12)14-10;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h2*3-6H,1-2H3
InChIKeyCAKCRWGNGXBKQD-UHFFFAOYSA-N
XLogP7.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.45
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole with MolForge

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Related Compounds

2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
CID 82126255
4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
CID 158996331
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 90707689
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 114834505
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
CID 107932634
1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 114872035
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
2-bromo-4-fluoro-1-(3-methylphenyl)benzene
CID 91110930
[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865375
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114834516

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole (CID 143754526) is 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole is Cc1cccc(-c2sc(Br)nc2C)c1.Cc1nc(-c2cccc(F)c2)c(C)s1.
What is the InChIKey of 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is CAKCRWGNGXBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS.C11H10FNS/c1-7-4-3-5-9(6-7)10-8(2)13-11(12)14-10;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h2*3-6H,1-2H3.
What are the key properties of 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole?
2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 475.45 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 143754526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).