4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C6H4F3NOS — CID 14372861

IUPAC4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2CO2)cs1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3(2-12-5)4-1-11-4/h2,4H,1H2
InChIKeySQXLLLBFLXKVBC-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.23
Rot. Bonds1

About 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 14372861) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID14372861
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2CO2)cs1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3(2-12-5)4-1-11-4/h2,4H,1H2
InChIKeySQXLLLBFLXKVBC-UHFFFAOYSA-N
XLogP2.23
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 14372861) is 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(C2CO2)cs1.
What is the InChIKey of 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SQXLLLBFLXKVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3(2-12-5)4-1-11-4/h2,4H,1H2.
What are the key properties of 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 195.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 14372861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).