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

C23H28N6OS — CID 45482753

IUPACN-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C23H28N6OS/c1-16(30)26-22-6-5-17(14-25-22)19-13-21-20(15-24-19)27-23(31-21)29-11-7-18(8-12-29)28-9-3-2-4-10-28/h5-6,13-15,18H,2-4,7-12H2,1H3,(H,25,26,30)
InChIKeyCJMZBKHNNKVAOE-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.17
Rot. Bonds4

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

N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide (PubChem CID 45482753) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide
PubChem CID45482753
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC NameN-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C23H28N6OS/c1-16(30)26-22-6-5-17(14-25-22)19-13-21-20(15-24-19)27-23(31-21)29-11-7-18(8-12-29)28-9-3-2-4-10-28/h5-6,13-15,18H,2-4,7-12H2,1H3,(H,25,26,30)
InChIKeyCJMZBKHNNKVAOE-UHFFFAOYSA-N
XLogP4.17
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide (CID 45482753) is N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.
What is the InChIKey of N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is CJMZBKHNNKVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-16(30)26-22-6-5-17(14-25-22)19-13-21-20(15-24-19)27-23(31-21)29-11-7-18(8-12-29)28-9-3-2-4-10-28/h5-6,13-15,18H,2-4,7-12H2,1H3,(H,25,26,30).
What are the key properties of N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide?
N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 436.59 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 45482753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).