2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide

C23H26N6O3S — CID 59588515

About 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide (PubChem CID 59588515) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
• PubChem CID: 59588515
• Molecular Formula: C23H26N6O3S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.18
• IUPAC Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1cccn2cc(C(=O)NCc3ccc4nc(N)sc4c3)nc12
• InChI: InChI=1S/C23H26N6O3S/c1-13(2)8-15(12-30)26-21(31)16-4-3-7-29-11-18(27-20(16)29)22(32)25-10-14-5-6-17-19(9-14)33-23(24)28-17/h3-7,9,11,13,15,30H,8,10,12H2,1-2H3,(H2,24,28)(H,25,32)(H,26,31)/t15-/m0/s1
• InChIKey: JDCLUTYLAFWGTG-HNNXBMFYSA-N
• XLogP: 2.59
• TPSA: 134.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?

The IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide (CID 59588515) is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide.

What is the SMILES notation for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?

The canonical SMILES for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1cccn2cc(C(=O)NCc3ccc4nc(N)sc4c3)nc12.

What is the InChIKey of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?

The InChIKey is JDCLUTYLAFWGTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-13(2)8-15(12-30)26-21(31)16-4-3-7-29-11-18(27-20(16)29)22(32)25-10-14-5-6-17-19(9-14)33-23(24)28-17/h3-7,9,11,13,15,30H,8,10,12H2,1-2H3,(H2,24,28)(H,25,32)(H,26,31)/t15-/m0/s1.

What are the key properties of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.59, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide is sourced from PubChem (CID 59588515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).