4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

C14H14F3NOS — CID 2744749

IUPAC4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NOS/c1-13(2,3)11-8-20-12(18-11)9-4-6-10(7-5-9)19-14(15,16)17/h4-8H,1-3H3
InChIKeyDHNFQOWGAUDJQX-UHFFFAOYSA-N
MW301.33 g/mol
LogP5.01
Rot. Bonds2

About 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 2744749) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID2744749
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NOS/c1-13(2,3)11-8-20-12(18-11)9-4-6-10(7-5-9)19-14(15,16)17/h4-8H,1-3H3
InChIKeyDHNFQOWGAUDJQX-UHFFFAOYSA-N
XLogP5.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 2744749) is 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is CC(C)(C)c1csc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is DHNFQOWGAUDJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-13(2,3)11-8-20-12(18-11)9-4-6-10(7-5-9)19-14(15,16)17/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 301.33 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 2744749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).