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

C18H14F3NS — CID 134148236

IUPAC2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C)s1
InChIInChI=1S/C18H14F3NS/c1-11-17(22-12(2)23-11)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10H,1-2H3
InChIKeyQYHJLKUWAIGCBN-UHFFFAOYSA-N
MW333.38 g/mol
LogP6.11
Rot. Bonds2

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

2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole (PubChem CID 134148236) has the molecular formula C18H14F3NS and a molecular weight of 333.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole
PubChem CID134148236
Molecular FormulaC18H14F3NS
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C)s1
InChIInChI=1S/C18H14F3NS/c1-11-17(22-12(2)23-11)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10H,1-2H3
InChIKeyQYHJLKUWAIGCBN-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole (CID 134148236) is 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole is Cc1nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole?
The InChIKey is QYHJLKUWAIGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NS/c1-11-17(22-12(2)23-11)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10H,1-2H3.
What are the key properties of 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole?
2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole has a molecular weight of 333.38 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 134148236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).