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

C9H11FN2OS — CID 151479210

IUPAC5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CCF)CC2
InChIInChI=1S/C9H11FN2OS/c10-2-4-12-3-1-7-8(5-12)14-9(6-13)11-7/h6H,1-5H2
InChIKeyPMCKQAPTEKLNEH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds3

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

5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (PubChem CID 151479210) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
PubChem CID151479210
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CCF)CC2
InChIInChI=1S/C9H11FN2OS/c10-2-4-12-3-1-7-8(5-12)14-9(6-13)11-7/h6H,1-5H2
InChIKeyPMCKQAPTEKLNEH-UHFFFAOYSA-N
XLogP1.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
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-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (CID 151479210) is 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is O=Cc1nc2c(s1)CN(CCF)CC2.
What is the InChIKey of 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The InChIKey is PMCKQAPTEKLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c10-2-4-12-3-1-7-8(5-12)14-9(6-13)11-7/h6H,1-5H2.
What are the key properties of 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 151479210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).