2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine

C8H5F3N2S2 — CID 142339798

IUPAC2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESCSc1nc2cc(C(F)(F)F)ncc2s1
InChIInChI=1S/C8H5F3N2S2/c1-14-7-13-4-2-6(8(9,10)11)12-3-5(4)15-7/h2-3H,1H3
InChIKeyGBTZVVHIUOGLHK-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.43
Rot. Bonds1

About 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine

2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 142339798) has the molecular formula C8H5F3N2S2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID142339798
Molecular FormulaC8H5F3N2S2
Molecular Weight250.27 g/mol
Exact Mass249.98
IUPAC Name2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESCSc1nc2cc(C(F)(F)F)ncc2s1
InChIInChI=1S/C8H5F3N2S2/c1-14-7-13-4-2-6(8(9,10)11)12-3-5(4)15-7/h2-3H,1H3
InChIKeyGBTZVVHIUOGLHK-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine (CID 142339798) is 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine is CSc1nc2cc(C(F)(F)F)ncc2s1.
What is the InChIKey of 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is GBTZVVHIUOGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S2/c1-14-7-13-4-2-6(8(9,10)11)12-3-5(4)15-7/h2-3H,1H3.
What are the key properties of 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine?
2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 250.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 142339798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).