5-ethenyl-2-(trifluoromethyl)-1,3-thiazole

C6H4F3NS — CID 89121630

IUPAC5-ethenyl-2-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NS/c1-2-4-3-10-5(11-4)6(7,8)9/h2-3H,1H2
InChIKeyNQBMUFPBXILEQE-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.80
Rot. Bonds1

About 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole

5-ethenyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 89121630) has the molecular formula C6H4F3NS and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID89121630
Molecular FormulaC6H4F3NS
Molecular Weight179.17 g/mol
Exact Mass179.00
IUPAC Name5-ethenyl-2-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NS/c1-2-4-3-10-5(11-4)6(7,8)9/h2-3H,1H2
InChIKeyNQBMUFPBXILEQE-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole (CID 89121630) is 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole is C=Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NQBMUFPBXILEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NS/c1-2-4-3-10-5(11-4)6(7,8)9/h2-3H,1H2.
What are the key properties of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole?
5-ethenyl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 179.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 89121630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).