5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole

C7H6F3NS — CID 91085377

IUPAC5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1sc(C)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NS/c1-3-5-6(7(8,9)10)11-4(2)12-5/h3H,1H2,2H3
InChIKeyXSLVOAGWRUGRRU-UHFFFAOYSA-N
MW193.19 g/mol
LogP3.11
Rot. Bonds1

About 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole

5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91085377) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91085377
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1sc(C)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NS/c1-3-5-6(7(8,9)10)11-4(2)12-5/h3H,1H2,2H3
InChIKeyXSLVOAGWRUGRRU-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 91085377) is 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole is C=Cc1sc(C)nc1C(F)(F)F.
What is the InChIKey of 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XSLVOAGWRUGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-3-5-6(7(8,9)10)11-4(2)12-5/h3H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 193.19 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91085377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).