N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide

C26H25N5O2S — CID 5272419

About N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide (PubChem CID 5272419) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide
• PubChem CID: 5272419
• Molecular Formula: C26H25N5O2S
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.17
• IUPAC Name: N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide
• SMILES: C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)C(=O)Cc1ccccn1
• InChI: InChI=1S/C26H25N5O2S/c1-18(19-7-3-2-4-8-19)31(25(33)15-22-9-5-6-14-28-22)16-24(32)29-21-12-10-20(11-13-21)23-17-34-26(27)30-23/h2-14,17-18H,15-16H2,1H3,(H2,27,30)(H,29,32)/t18-/m0/s1
• InChIKey: UXVJPFIWEKGTTN-SFHVURJKSA-N
• XLogP: 4.56
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide (CID 5272419) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide is C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)C(=O)Cc1ccccn1.

What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide?

The InChIKey is UXVJPFIWEKGTTN-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-18(19-7-3-2-4-8-19)31(25(33)15-22-9-5-6-14-28-22)16-24(32)29-21-12-10-20(11-13-21)23-17-34-26(27)30-23/h2-14,17-18H,15-16H2,1H3,(H2,27,30)(H,29,32)/t18-/m0/s1.

What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide?

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide has a molecular weight of 471.59 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 5272419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).