4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9F4NS — CID 122488012

IUPAC4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C12H9F4NS/c1-2-8-6-18-11(17-8)7-3-4-9(10(13)5-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyWZCOGKOBQAEWTJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.53
Rot. Bonds2

About 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole

4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 122488012) has the molecular formula C12H9F4NS and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID122488012
Molecular FormulaC12H9F4NS
Molecular Weight275.27 g/mol
Exact Mass275.04
IUPAC Name4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C12H9F4NS/c1-2-8-6-18-11(17-8)7-3-4-9(10(13)5-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyWZCOGKOBQAEWTJ-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 122488012) is 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole is CCc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1.
What is the InChIKey of 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is WZCOGKOBQAEWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NS/c1-2-8-6-18-11(17-8)7-3-4-9(10(13)5-7)12(14,15)16/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 275.27 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 122488012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).