2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole

C6H4F3NS2 — CID 54158188

IUPAC2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole
SMILESFC(F)=C(F)CSc1nccs1
InChIInChI=1S/C6H4F3NS2/c7-4(5(8)9)3-12-6-10-1-2-11-6/h1-2H,3H2
InChIKeyOMNSSWMGNYESQK-UHFFFAOYSA-N
MW211.23 g/mol
LogP3.31
Rot. Bonds3

About 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole

2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole (PubChem CID 54158188) has the molecular formula C6H4F3NS2 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole
PubChem CID54158188
Molecular FormulaC6H4F3NS2
Molecular Weight211.23 g/mol
Exact Mass210.97
IUPAC Name2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole
SMILESFC(F)=C(F)CSc1nccs1
InChIInChI=1S/C6H4F3NS2/c7-4(5(8)9)3-12-6-10-1-2-11-6/h1-2H,3H2
InChIKeyOMNSSWMGNYESQK-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole (CID 54158188) is 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole is FC(F)=C(F)CSc1nccs1.
What is the InChIKey of 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole?
The InChIKey is OMNSSWMGNYESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NS2/c7-4(5(8)9)3-12-6-10-1-2-11-6/h1-2H,3H2.
What are the key properties of 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole?
2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole has a molecular weight of 211.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trifluoroprop-2-enylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 54158188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).