5-(trifluoromethoxy)-1,3-thiazole

C4H2F3NOS — CID 118363937

IUPAC5-(trifluoromethoxy)-1,3-thiazole
SMILESFC(F)(F)Oc1cncs1
InChIInChI=1S/C4H2F3NOS/c5-4(6,7)9-3-1-8-2-10-3/h1-2H
InChIKeyVRSCGEXMDZFAEG-UHFFFAOYSA-N
MW169.13 g/mol
LogP2.04
Rot. Bonds1

About 5-(trifluoromethoxy)-1,3-thiazole

5-(trifluoromethoxy)-1,3-thiazole (PubChem CID 118363937) has the molecular formula C4H2F3NOS and a molecular weight of 169.13 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1,3-thiazole
PubChem CID118363937
Molecular FormulaC4H2F3NOS
Molecular Weight169.13 g/mol
Exact Mass168.98
IUPAC Name5-(trifluoromethoxy)-1,3-thiazole
SMILESFC(F)(F)Oc1cncs1
InChIInChI=1S/C4H2F3NOS/c5-4(6,7)9-3-1-8-2-10-3/h1-2H
InChIKeyVRSCGEXMDZFAEG-UHFFFAOYSA-N
XLogP2.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1,3-thiazole?
The IUPAC name of 5-(trifluoromethoxy)-1,3-thiazole (CID 118363937) is 5-(trifluoromethoxy)-1,3-thiazole.
What is the SMILES notation for 5-(trifluoromethoxy)-1,3-thiazole?
The canonical SMILES for 5-(trifluoromethoxy)-1,3-thiazole is FC(F)(F)Oc1cncs1.
What is the InChIKey of 5-(trifluoromethoxy)-1,3-thiazole?
The InChIKey is VRSCGEXMDZFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NOS/c5-4(6,7)9-3-1-8-2-10-3/h1-2H.
What are the key properties of 5-(trifluoromethoxy)-1,3-thiazole?
5-(trifluoromethoxy)-1,3-thiazole has a molecular weight of 169.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1,3-thiazole is sourced from PubChem (CID 118363937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).