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

C6H5FN2S2 — CID 22632038

IUPAC7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
SMILESFCSc1ncn2ccsc12
InChIInChI=1S/C6H5FN2S2/c7-3-11-5-6-9(4-8-5)1-2-10-6/h1-2,4H,3H2
InChIKeyFDIVFOYVZFIXGV-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.41
Rot. Bonds2

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

7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole (PubChem CID 22632038) has the molecular formula C6H5FN2S2 and a molecular weight of 188.25 g/mol. Its IUPAC name is 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
PubChem CID22632038
Molecular FormulaC6H5FN2S2
Molecular Weight188.25 g/mol
Exact Mass187.99
IUPAC Name7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
SMILESFCSc1ncn2ccsc12
InChIInChI=1S/C6H5FN2S2/c7-3-11-5-6-9(4-8-5)1-2-10-6/h1-2,4H,3H2
InChIKeyFDIVFOYVZFIXGV-UHFFFAOYSA-N
XLogP2.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole (CID 22632038) is 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole is FCSc1ncn2ccsc12.
What is the InChIKey of 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
The InChIKey is FDIVFOYVZFIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2S2/c7-3-11-5-6-9(4-8-5)1-2-10-6/h1-2,4H,3H2.
What are the key properties of 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole?
7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole has a molecular weight of 188.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 22632038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).