2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine

C17H18N4S — CID 10425517

IUPAC2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(C2CCN(Cc3nc4cccnc4s3)CC2)nc1
InChIInChI=1S/C17H18N4S/c1-2-8-18-14(4-1)13-6-10-21(11-7-13)12-16-20-15-5-3-9-19-17(15)22-16/h1-5,8-9,13H,6-7,10-12H2
InChIKeyVEQNUPIKMRGAIC-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.47
Rot. Bonds3

About 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine

2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 10425517) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID10425517
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(C2CCN(Cc3nc4cccnc4s3)CC2)nc1
InChIInChI=1S/C17H18N4S/c1-2-8-18-14(4-1)13-6-10-21(11-7-13)12-16-20-15-5-3-9-19-17(15)22-16/h1-5,8-9,13H,6-7,10-12H2
InChIKeyVEQNUPIKMRGAIC-UHFFFAOYSA-N
XLogP3.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine (CID 10425517) is 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine is c1ccc(C2CCN(Cc3nc4cccnc4s3)CC2)nc1.
What is the InChIKey of 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is VEQNUPIKMRGAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-8-18-14(4-1)13-6-10-21(11-7-13)12-16-20-15-5-3-9-19-17(15)22-16/h1-5,8-9,13H,6-7,10-12H2.
What are the key properties of 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 310.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 10425517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).