2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C8H8F3IN2S — CID 90062904

IUPAC2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CN1CCc2nc(I)sc2C1
InChIInChI=1S/C8H8F3IN2S/c9-8(10,11)4-14-2-1-5-6(3-14)15-7(12)13-5/h1-4H2
InChIKeySBJQZRNCQPXMNG-UHFFFAOYSA-N
MW348.13 g/mol
LogP2.67
Rot. Bonds1

About 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 90062904) has the molecular formula C8H8F3IN2S and a molecular weight of 348.13 g/mol. Its IUPAC name is 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID90062904
Molecular FormulaC8H8F3IN2S
Molecular Weight348.13 g/mol
Exact Mass347.94
IUPAC Name2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CN1CCc2nc(I)sc2C1
InChIInChI=1S/C8H8F3IN2S/c9-8(10,11)4-14-2-1-5-6(3-14)15-7(12)13-5/h1-4H2
InChIKeySBJQZRNCQPXMNG-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.13
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 90062904) is 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is FC(F)(F)CN1CCc2nc(I)sc2C1.
What is the InChIKey of 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SBJQZRNCQPXMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2S/c9-8(10,11)4-14-2-1-5-6(3-14)15-7(12)13-5/h1-4H2.
What are the key properties of 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 348.13 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 90062904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).