4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole

C11H8F3NS — CID 11053854

IUPAC4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccc(-c2ncsc2C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NS/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)16-6-15-9/h2-6H,1H3
InChIKeyJQJXKVDZMGVZHQ-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.14
Rot. Bonds1

About 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole

4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 11053854) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole
PubChem CID11053854
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccc(-c2ncsc2C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NS/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)16-6-15-9/h2-6H,1H3
InChIKeyJQJXKVDZMGVZHQ-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole (CID 11053854) is 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole is Cc1ccc(-c2ncsc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JQJXKVDZMGVZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)16-6-15-9/h2-6H,1H3.
What are the key properties of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole?
4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 243.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 11053854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).