5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole

C7H6F3NS — CID 162608361

IUPAC5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESC/C=C/c1scnc1C(F)(F)F
InChIInChI=1S/C7H6F3NS/c1-2-3-5-6(7(8,9)10)11-4-12-5/h2-4H,1H3/b3-2+
InChIKeyJRBODKOHZSDPAG-NSCUHMNNSA-N
MW193.19 g/mol
LogP3.19
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole

5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 162608361) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID162608361
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESC/C=C/c1scnc1C(F)(F)F
InChIInChI=1S/C7H6F3NS/c1-2-3-5-6(7(8,9)10)11-4-12-5/h2-4H,1H3/b3-2+
InChIKeyJRBODKOHZSDPAG-NSCUHMNNSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole (CID 162608361) is 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole is C/C=C/c1scnc1C(F)(F)F.
What is the InChIKey of 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JRBODKOHZSDPAG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-2-3-5-6(7(8,9)10)11-4-12-5/h2-4H,1H3/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole?
5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 193.19 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 162608361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).