N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

About N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 92735084) has the molecular formula C25H33N5O2S2 and a molecular weight of 499.71 g/mol. Its IUPAC name is N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name	N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID	92735084
Molecular Formula	C25H33N5O2S2
Molecular Weight	499.71 g/mol
Exact Mass	499.21
IUPAC Name	N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILES	O=C(NCCCN(Cc1cccs1)C[C@H]1CCCO1)C1CCN(c2nc3cccnc3s2)CC1
InChI	InChI=1S/C25H33N5O2S2/c31-23(19-8-13-30(14-9-19)25-28-22-7-1-10-27-24(22)34-25)26-11-4-12-29(17-20-5-2-15-32-20)18-21-6-3-16-33-21/h1,3,6-7,10,16,19-20H,2,4-5,8-9,11-15,17-18H2,(H,26,31)/t20-/m1/s1
InChIKey	LDUORKBBOMAYLT-HXUWFJFHSA-N
XLogP	4.16
TPSA	70.59 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.71
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 92735084) is N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCCCN(Cc1cccs1)C[C@H]1CCCO1)C1CCN(c2nc3cccnc3s2)CC1.

What is the InChIKey of N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?

The InChIKey is LDUORKBBOMAYLT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N5O2S2/c31-23(19-8-13-30(14-9-19)25-28-22-7-1-10-27-24(22)34-25)26-11-4-12-29(17-20-5-2-15-32-20)18-21-6-3-16-33-21/h1,3,6-7,10,16,19-20H,2,4-5,8-9,11-15,17-18H2,(H,26,31)/t20-/m1/s1.

What are the key properties of N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?

N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 499.71 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92735084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).