2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole

C18H16FNS — CID 118149736

IUPAC2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C
InChIInChI=1S/C18H16FNS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14/h4-10H,1-3H3
InChIKeyQPOXDAZCOIJDFL-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.54
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole

2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 118149736) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID118149736
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C
InChIInChI=1S/C18H16FNS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14/h4-10H,1-3H3
InChIKeyQPOXDAZCOIJDFL-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline
CID 114832647
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 118152375
5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
CID 163416847
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886009
2-(4-fluorophenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887509
N-[[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 114834508
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887765
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 8543475
5-[6-[(3,5-difluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 121031442

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole (CID 118149736) is 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is QPOXDAZCOIJDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole?
2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 297.40 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 118149736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).