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

C12H11FN2S — CID 177183278

IUPAC4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(C2NCCc3scnc32)cc1
InChIInChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)16-7-15-12/h1-4,7,11,14H,5-6H2
InChIKeyVFASOFXDQHAPNU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.52
Rot. Bonds1

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

4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 177183278) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID177183278
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(C2NCCc3scnc32)cc1
InChIInChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)16-7-15-12/h1-4,7,11,14H,5-6H2
InChIKeyVFASOFXDQHAPNU-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 177183278) is 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is Fc1ccc(C2NCCc3scnc32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is VFASOFXDQHAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)16-7-15-12/h1-4,7,11,14H,5-6H2.
What are the key properties of 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 234.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 177183278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).