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

C24H23N5O2S — CID 58706708

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

2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 58706708) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
• PubChem CID: 58706708
• Molecular Formula: C24H23N5O2S
• Molecular Weight: 445.55 g/mol
• Exact Mass: 445.16
• IUPAC Name: 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc([C@H](C)NC(=O)Cc4ccc(O)cc4)s3)n2)c1
• InChI: InChI=1S/C24H23N5O2S/c1-15-10-11-25-22(12-15)29-21-5-3-4-19(28-21)20-14-26-24(32-20)16(2)27-23(31)13-17-6-8-18(30)9-7-17/h3-12,14,16,30H,13H2,1-2H3,(H,27,31)(H,25,28,29)/t16-/m0/s1
• InChIKey: NUOQTVGTYYDQJM-INIZCTEOSA-N
• XLogP: 4.78
• TPSA: 100.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.55
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (CID 58706708) is 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is Cc1ccnc(Nc2cccc(-c3cnc([C@H](C)NC(=O)Cc4ccc(O)cc4)s3)n2)c1.

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

The InChIKey is NUOQTVGTYYDQJM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15-10-11-25-22(12-15)29-21-5-3-4-19(28-21)20-14-26-24(32-20)16(2)27-23(31)13-17-6-8-18(30)9-7-17/h3-12,14,16,30H,13H2,1-2H3,(H,27,31)(H,25,28,29)/t16-/m0/s1.

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

2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 58706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).