4-(trifluoromethyl)-1,3-thiazole

C8H4F6N2S2 — CID 160739968

IUPAC4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cscn1.FC(F)(F)c1cscn1
InChIInChI=1S/2C4H2F3NS/c2*5-4(6,7)3-1-9-2-8-3/h2*1-2H
InChIKeyRVLFLAMCRGTUED-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.32
Rot. Bonds

About 4-(trifluoromethyl)-1,3-thiazole

4-(trifluoromethyl)-1,3-thiazole (PubChem CID 160739968) has the molecular formula C8H4F6N2S2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-thiazole
PubChem CID160739968
Molecular FormulaC8H4F6N2S2
Molecular Weight306.26 g/mol
Exact Mass305.97
IUPAC Name4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cscn1.FC(F)(F)c1cscn1
InChIInChI=1S/2C4H2F3NS/c2*5-4(6,7)3-1-9-2-8-3/h2*1-2H
InChIKeyRVLFLAMCRGTUED-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(trifluoromethyl)-1,3-thiazole (CID 160739968) is 4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cscn1.FC(F)(F)c1cscn1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RVLFLAMCRGTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H2F3NS/c2*5-4(6,7)3-1-9-2-8-3/h2*1-2H.
What are the key properties of 4-(trifluoromethyl)-1,3-thiazole?
4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 306.26 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 160739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).