N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide

C25H25N5O2S — CID 58707069

About N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide

N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide (PubChem CID 58707069) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide
• PubChem CID: 58707069
• Molecular Formula: C25H25N5O2S
• Molecular Weight: 459.58 g/mol
• Exact Mass: 459.17
• IUPAC Name: N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide
• SMILES: CC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1
• InChI: InChI=1S/C25H25N5O2S/c1-17-11-12-26-24(13-17)30-23-10-6-9-20(29-23)22-14-27-25(33-22)21(28-18(2)31)16-32-15-19-7-4-3-5-8-19/h3-14,21H,15-16H2,1-2H3,(H,28,31)(H,26,29,30)/t21-/m0/s1
• InChIKey: LXNFDIQRALCHDZ-NRFANRHFSA-N
• XLogP: 5.05
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide?

The IUPAC name of N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide (CID 58707069) is N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide.

What is the SMILES notation for N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide?

The canonical SMILES for N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide is CC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1.

What is the InChIKey of N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide?

The InChIKey is LXNFDIQRALCHDZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-17-11-12-26-24(13-17)30-23-10-6-9-20(29-23)22-14-27-25(33-22)21(28-18(2)31)16-32-15-19-7-4-3-5-8-19/h3-14,21H,15-16H2,1-2H3,(H,28,31)(H,26,29,30)/t21-/m0/s1.

What are the key properties of N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide?

N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide has a molecular weight of 459.58 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide is sourced from PubChem (CID 58707069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).