4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole

C18H16FNS — CID 134152867

IUPAC4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(F)c(C)c3)cc2)c(C)s1
InChIInChI=1S/C18H16FNS/c1-11-10-16(8-9-17(11)19)14-4-6-15(7-5-14)18-12(2)21-13(3)20-18/h4-10H,1-3H3
InChIKeyNBMRZXYFXNVIED-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.54
Rot. Bonds2

About 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole

4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (PubChem CID 134152867) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
PubChem CID134152867
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(F)c(C)c3)cc2)c(C)s1
InChIInChI=1S/C18H16FNS/c1-11-10-16(8-9-17(11)19)14-4-6-15(7-5-14)18-12(2)21-13(3)20-18/h4-10H,1-3H3
InChIKeyNBMRZXYFXNVIED-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (CID 134152867) is 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is Cc1nc(-c2ccc(-c3ccc(F)c(C)c3)cc2)c(C)s1.
What is the InChIKey of 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The InChIKey is NBMRZXYFXNVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-11-10-16(8-9-17(11)19)14-4-6-15(7-5-14)18-12(2)21-13(3)20-18/h4-10H,1-3H3.
What are the key properties of 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-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 4-[4-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 134152867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).