2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine

C9H8F2N2OS2 — CID 97057245

IUPAC2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc([S@@](=O)CC(F)F)sc2c1
InChIInChI=1S/C9H8F2N2OS2/c1-5-2-6-8(12-3-5)13-9(15-6)16(14)4-7(10)11/h2-3,7H,4H2,1H3/t16-/m0/s1
InChIKeyPAQCURORUWEHCY-INIZCTEOSA-N
MW262.31 g/mol
LogP2.37
Rot. Bonds3

About 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine

2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 97057245) has the molecular formula C9H8F2N2OS2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID97057245
Molecular FormulaC9H8F2N2OS2
Molecular Weight262.31 g/mol
Exact Mass262.00
IUPAC Name2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc([S@@](=O)CC(F)F)sc2c1
InChIInChI=1S/C9H8F2N2OS2/c1-5-2-6-8(12-3-5)13-9(15-6)16(14)4-7(10)11/h2-3,7H,4H2,1H3/t16-/m0/s1
InChIKeyPAQCURORUWEHCY-INIZCTEOSA-N
XLogP2.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 97057245) is 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc([S@@](=O)CC(F)F)sc2c1.
What is the InChIKey of 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is PAQCURORUWEHCY-INIZCTEOSA-N. The full InChI is InChI=1S/C9H8F2N2OS2/c1-5-2-6-8(12-3-5)13-9(15-6)16(14)4-7(10)11/h2-3,7H,4H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 262.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 97057245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).