1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol

C9H7F3N2OS2 — CID 2738585

IUPAC1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1nc2cccnc2s1)C(F)(F)F
InChIInChI=1S/C9H7F3N2OS2/c10-9(11,12)6(15)4-16-8-14-5-2-1-3-13-7(5)17-8/h1-3,6,15H,4H2
InChIKeyCQDQTQSXLFSRFE-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.71
Rot. Bonds3

About 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol

1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol (PubChem CID 2738585) has the molecular formula C9H7F3N2OS2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol
PubChem CID2738585
Molecular FormulaC9H7F3N2OS2
Molecular Weight280.30 g/mol
Exact Mass280.00
IUPAC Name1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1nc2cccnc2s1)C(F)(F)F
InChIInChI=1S/C9H7F3N2OS2/c10-9(11,12)6(15)4-16-8-14-5-2-1-3-13-7(5)17-8/h1-3,6,15H,4H2
InChIKeyCQDQTQSXLFSRFE-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol (CID 2738585) is 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol is OC(CSc1nc2cccnc2s1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol?
The InChIKey is CQDQTQSXLFSRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS2/c10-9(11,12)6(15)4-16-8-14-5-2-1-3-13-7(5)17-8/h1-3,6,15H,4H2.
What are the key properties of 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol?
1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol has a molecular weight of 280.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 2738585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).