2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

C14H10F3N3O2S2 — CID 90277455

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2s1
InChIInChI=1S/C14H10F3N3O2S2/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3
InChIKeyJRXZVFNQTZFCLK-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 90277455) has the molecular formula C14H10F3N3O2S2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID90277455
Molecular FormulaC14H10F3N3O2S2
Molecular Weight373.38 g/mol
Exact Mass373.02
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2s1
InChIInChI=1S/C14H10F3N3O2S2/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3
InChIKeyJRXZVFNQTZFCLK-UHFFFAOYSA-N
XLogP3.57
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 90277455) is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2s1.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is JRXZVFNQTZFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S2/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 373.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 90277455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).