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

C16H22N2S — CID 55120633

IUPAC2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESC1Cc2nc(C34CC5CC(CC(C5)C3)C4)sc2CN1
InChIInChI=1S/C16H22N2S/c1-2-17-9-14-13(1)18-15(19-14)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,17H,1-9H2
InChIKeySQAIQBWPJHGEAU-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.26
Rot. Bonds1

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

2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 55120633) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID55120633
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESC1Cc2nc(C34CC5CC(CC(C5)C3)C4)sc2CN1
InChIInChI=1S/C16H22N2S/c1-2-17-9-14-13(1)18-15(19-14)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,17H,1-9H2
InChIKeySQAIQBWPJHGEAU-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 55120633) is 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is C1Cc2nc(C34CC5CC(CC(C5)C3)C4)sc2CN1.
What is the InChIKey of 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SQAIQBWPJHGEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-17-9-14-13(1)18-15(19-14)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,17H,1-9H2.
What are the key properties of 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 274.43 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 55120633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).