3-(trifluoromethyl)-2H-1,3-thiazole

C4H4F3NS — CID 123623581

IUPAC3-(trifluoromethyl)-2H-1,3-thiazole
SMILESFC(F)(F)N1C=CSC1
InChIInChI=1S/C4H4F3NS/c5-4(6,7)8-1-2-9-3-8/h1-2H,3H2
InChIKeyWASPXVATCZDYTP-UHFFFAOYSA-N
MW155.14 g/mol
LogP1.98
Rot. Bonds

About 3-(trifluoromethyl)-2H-1,3-thiazole

3-(trifluoromethyl)-2H-1,3-thiazole (PubChem CID 123623581) has the molecular formula C4H4F3NS and a molecular weight of 155.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-1,3-thiazole
PubChem CID123623581
Molecular FormulaC4H4F3NS
Molecular Weight155.14 g/mol
Exact Mass155.00
IUPAC Name3-(trifluoromethyl)-2H-1,3-thiazole
SMILESFC(F)(F)N1C=CSC1
InChIInChI=1S/C4H4F3NS/c5-4(6,7)8-1-2-9-3-8/h1-2H,3H2
InChIKeyWASPXVATCZDYTP-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-1,3-thiazole?
The IUPAC name of 3-(trifluoromethyl)-2H-1,3-thiazole (CID 123623581) is 3-(trifluoromethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(trifluoromethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(trifluoromethyl)-2H-1,3-thiazole is FC(F)(F)N1C=CSC1.
What is the InChIKey of 3-(trifluoromethyl)-2H-1,3-thiazole?
The InChIKey is WASPXVATCZDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NS/c5-4(6,7)8-1-2-9-3-8/h1-2H,3H2.
What are the key properties of 3-(trifluoromethyl)-2H-1,3-thiazole?
3-(trifluoromethyl)-2H-1,3-thiazole has a molecular weight of 155.14 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-1,3-thiazole is sourced from PubChem (CID 123623581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).