5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C24H27N3OS — CID 45489220

IUPAC5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(Oc2cccc(CN3CCc4nc(N5CCCCC5)sc4C3)c2)cc1
InChIInChI=1S/C24H27N3OS/c1-3-9-20(10-4-1)28-21-11-7-8-19(16-21)17-26-15-12-22-23(18-26)29-24(25-22)27-13-5-2-6-14-27/h1,3-4,7-11,16H,2,5-6,12-15,17-18H2
InChIKeyHIHPRDMULSWZDN-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.48
Rot. Bonds5

About 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 45489220) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID45489220
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(Oc2cccc(CN3CCc4nc(N5CCCCC5)sc4C3)c2)cc1
InChIInChI=1S/C24H27N3OS/c1-3-9-20(10-4-1)28-21-11-7-8-19(16-21)17-26-15-12-22-23(18-26)29-24(25-22)27-13-5-2-6-14-27/h1,3-4,7-11,16H,2,5-6,12-15,17-18H2
InChIKeyHIHPRDMULSWZDN-UHFFFAOYSA-N
XLogP5.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 45489220) is 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is c1ccc(Oc2cccc(CN3CCc4nc(N5CCCCC5)sc4C3)c2)cc1.
What is the InChIKey of 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is HIHPRDMULSWZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-3-9-20(10-4-1)28-21-11-7-8-19(16-21)17-26-15-12-22-23(18-26)29-24(25-22)27-13-5-2-6-14-27/h1,3-4,7-11,16H,2,5-6,12-15,17-18H2.
What are the key properties of 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 405.57 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 45489220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).