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

C22H31N5OS — CID 58579700

IUPACN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1)C1CCCC1
InChIInChI=1S/C22H31N5OS/c28-21(16-6-2-3-7-16)24-17-14-19-20(23-15-17)25-22(29-19)27-12-8-18(9-13-27)26-10-4-1-5-11-26/h14-16,18H,1-13H2,(H,24,28)
InChIKeyUPAONAUAAGRWAX-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.27
Rot. Bonds4

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

N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide (PubChem CID 58579700) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
PubChem CID58579700
Molecular FormulaC22H31N5OS
Molecular Weight413.59 g/mol
Exact Mass413.22
IUPAC NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1)C1CCCC1
InChIInChI=1S/C22H31N5OS/c28-21(16-6-2-3-7-16)24-17-14-19-20(23-15-17)25-22(29-19)27-12-8-18(9-13-27)26-10-4-1-5-11-26/h14-16,18H,1-13H2,(H,24,28)
InChIKeyUPAONAUAAGRWAX-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]propan-2-one
CID 58579665
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]ethanone
CID 45482714
6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579706
6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579712
bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 160688497
4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 45482708
6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46244011
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
CID 118224339
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone
CID 45482773

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]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide (CID 58579700) is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide is O=C(Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1)C1CCCC1.
What is the InChIKey of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide?
The InChIKey is UPAONAUAAGRWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c28-21(16-6-2-3-7-16)24-17-14-19-20(23-15-17)25-22(29-19)27-12-8-18(9-13-27)26-10-4-1-5-11-26/h14-16,18H,1-13H2,(H,24,28).
What are the key properties of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide?
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide has a molecular weight of 413.59 g/mol, XLogP of 4.27, 4 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]cyclopentanecarboxamide is sourced from PubChem (CID 58579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).