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

C9H9F3N2OS — CID 152596199

IUPAC5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)5-14-2-1-6-7(3-14)16-8(4-15)13-6/h4H,1-3,5H2
InChIKeyYWNJNVGUEAITGL-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.88
Rot. Bonds2

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

5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (PubChem CID 152596199) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
PubChem CID152596199
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)5-14-2-1-6-7(3-14)16-8(4-15)13-6/h4H,1-3,5H2
InChIKeyYWNJNVGUEAITGL-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (CID 152596199) is 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is O=Cc1nc2c(s1)CN(CC(F)(F)F)CC2.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The InChIKey is YWNJNVGUEAITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)5-14-2-1-6-7(3-14)16-8(4-15)13-6/h4H,1-3,5H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde has a molecular weight of 250.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 152596199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).