2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C12H11FN2S — CID 62548084

IUPAC2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2
InChIKeySTJMGDRLXLMREW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.59
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62548084) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62548084
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2
InChIKeySTJMGDRLXLMREW-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62548084) is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Fc1ccc(-c2nc3c(s2)CNCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is STJMGDRLXLMREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2.
What are the key properties of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 234.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62548084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).