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

C12H10F3NS — CID 58245749

IUPAC2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3-6H,1-2H3
InChIKeyLGUQEPLCGVWXQH-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.45
Rot. Bonds1

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

2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 58245749) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID58245749
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC Name2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3-6H,1-2H3
InChIKeyLGUQEPLCGVWXQH-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
CID 2783006
4-Methyl-5-((4-methylphenyl)methyl)-1,3-thiazol-2-amine
CID 43431839
2-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 236604
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252
4-(4-Methyl-1,3-thiazol-5-yl)benzonitrile
CID 19877181
4-Methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole
CID 23723060
2,5-Dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole
CID 134131724
2,5-Dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole
CID 134148236
4-[4-(4-Fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
CID 134152867
2-Methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742355

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 58245749) is 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nc(C)c(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is LGUQEPLCGVWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 257.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 58245749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).