2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

C27H23N5O2S — CID 166728497

About 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 166728497) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 166728497
• Molecular Formula: C27H23N5O2S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.16
• IUPAC Name: 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2nc(C)c(-c3ccc4c(C=Cc5ccccn5)n[nH]c4c3)s2)cc1
• InChI: InChI=1S/C27H23N5O2S/c1-17-26(35-27(29-17)30-25(33)15-18-6-10-21(34-2)11-7-18)19-8-12-22-23(31-32-24(22)16-19)13-9-20-5-3-4-14-28-20/h3-14,16H,15H2,1-2H3,(H,31,32)(H,29,30,33)
• InChIKey: PFVKCJQQEQUJQM-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (CID 166728497) is 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc(C)c(-c3ccc4c(C=Cc5ccccn5)n[nH]c4c3)s2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is PFVKCJQQEQUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-17-26(35-27(29-17)30-25(33)15-18-6-10-21(34-2)11-7-18)19-8-12-22-23(31-32-24(22)16-19)13-9-20-5-3-4-14-28-20/h3-14,16H,15H2,1-2H3,(H,31,32)(H,29,30,33).

What are the key properties of 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?

2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 481.58 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166728497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).