N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide

C26H24N6O3S2 — CID 25095490

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 25095490) has the molecular formula C26H24N6O3S2 and a molecular weight of 532.65 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 25095490
• Molecular Formula: C26H24N6O3S2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.14
• IUPAC Name: N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
• SMILES: Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)N5CCC[C@@H](O)C5)c(-c5ccsc5)nc34)cc2s1
• InChI: InChI=1S/C26H24N6O3S2/c27-26-29-19-6-5-15(11-20(19)37-26)12-28-24(34)18-4-2-9-32-22(25(35)31-8-1-3-17(33)13-31)21(30-23(18)32)16-7-10-36-14-16/h2,4-7,9-11,14,17,33H,1,3,8,12-13H2,(H2,27,29)(H,28,34)/t17-/m1/s1
• InChIKey: AQZQGFHNGFOKEA-QGZVFWFLSA-N
• XLogP: 3.78
• TPSA: 125.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (CID 25095490) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)N5CCC[C@@H](O)C5)c(-c5ccsc5)nc34)cc2s1.

What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is AQZQGFHNGFOKEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N6O3S2/c27-26-29-19-6-5-15(11-20(19)37-26)12-28-24(34)18-4-2-9-32-22(25(35)31-8-1-3-17(33)13-31)21(30-23(18)32)16-7-10-36-14-16/h2,4-7,9-11,14,17,33H,1,3,8,12-13H2,(H2,27,29)(H,28,34)/t17-/m1/s1.

What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 532.65 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 25095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).