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

C22H25N7O3S — CID 58706924

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

N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide (PubChem CID 58706924) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide
• PubChem CID: 58706924
• Molecular Formula: C22H25N7O3S
• Molecular Weight: 467.56 g/mol
• Exact Mass: 467.17
• IUPAC Name: N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(N4CCN(CC(=O)NCCO)C(=O)C4)s3)n2)c1
• InChI: InChI=1S/C22H25N7O3S/c1-15-5-6-23-19(11-15)27-18-4-2-3-16(26-18)17-12-25-22(33-17)29-9-8-28(21(32)14-29)13-20(31)24-7-10-30/h2-6,11-12,30H,7-10,13-14H2,1H3,(H,24,31)(H,23,26,27)
• InChIKey: ZYTBYNRBJJFRNY-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 123.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.56
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide (CID 58706924) is N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide.

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

The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCN(CC(=O)NCCO)C(=O)C4)s3)n2)c1.

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

The InChIKey is ZYTBYNRBJJFRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-15-5-6-23-19(11-15)27-18-4-2-3-16(26-18)17-12-25-22(33-17)29-9-8-28(21(32)14-29)13-20(31)24-7-10-30/h2-6,11-12,30H,7-10,13-14H2,1H3,(H,24,31)(H,23,26,27).

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

N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide has a molecular weight of 467.56 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-2-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxopiperazin-1-yl]acetamide is sourced from PubChem (CID 58706924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).