N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide

C18H25N5OS — CID 45482780

IUPACN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C18H25N5OS/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24)
InChIKeyQJAZWUKISNKCCS-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide

N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide (PubChem CID 45482780) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide
PubChem CID45482780
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C18H25N5OS/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24)
InChIKeyQJAZWUKISNKCCS-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide (CID 45482780) is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide is CC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.
What is the InChIKey of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide?
The InChIKey is QJAZWUKISNKCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide?
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 45482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).