2-(trifluoromethylsulfanyl)-1,3-thiazole

C4H2F3NS2 — CID 12006670

IUPAC2-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESFC(F)(F)Sc1nccs1
InChIInChI=1S/C4H2F3NS2/c5-4(6,7)10-3-8-1-2-9-3/h1-2H
InChIKeyBGBBOTFEGBRXCE-UHFFFAOYSA-N
MW185.20 g/mol
LogP2.76
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)-1,3-thiazole

2-(trifluoromethylsulfanyl)-1,3-thiazole (PubChem CID 12006670) has the molecular formula C4H2F3NS2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)-1,3-thiazole
PubChem CID12006670
Molecular FormulaC4H2F3NS2
Molecular Weight185.20 g/mol
Exact Mass184.96
IUPAC Name2-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESFC(F)(F)Sc1nccs1
InChIInChI=1S/C4H2F3NS2/c5-4(6,7)10-3-8-1-2-9-3/h1-2H
InChIKeyBGBBOTFEGBRXCE-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 52.76
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-(trifluoromethylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(trifluoromethylsulfanyl)-1,3-thiazole (CID 12006670) is 2-(trifluoromethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(trifluoromethylsulfanyl)-1,3-thiazole is FC(F)(F)Sc1nccs1.
What is the InChIKey of 2-(trifluoromethylsulfanyl)-1,3-thiazole?
The InChIKey is BGBBOTFEGBRXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NS2/c5-4(6,7)10-3-8-1-2-9-3/h1-2H.
What are the key properties of 2-(trifluoromethylsulfanyl)-1,3-thiazole?
2-(trifluoromethylsulfanyl)-1,3-thiazole has a molecular weight of 185.20 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 12006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).