7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole

C6H3F3N2S2 — CID 22631720

IUPAC7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
SMILESFC(F)(F)Sc1ncn2ccsc12
InChIInChI=1S/C6H3F3N2S2/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5/h1-3H
InChIKeyGQDYLGUBBDLFSG-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.01
Rot. Bonds1

About 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole

7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole (PubChem CID 22631720) has the molecular formula C6H3F3N2S2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
PubChem CID22631720
Molecular FormulaC6H3F3N2S2
Molecular Weight224.23 g/mol
Exact Mass223.97
IUPAC Name7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
SMILESFC(F)(F)Sc1ncn2ccsc12
InChIInChI=1S/C6H3F3N2S2/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5/h1-3H
InChIKeyGQDYLGUBBDLFSG-UHFFFAOYSA-N
XLogP3.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole (CID 22631720) is 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole is FC(F)(F)Sc1ncn2ccsc12.
What is the InChIKey of 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The InChIKey is GQDYLGUBBDLFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2S2/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5/h1-3H.
What are the key properties of 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole has a molecular weight of 224.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 22631720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).