1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone

C23H27N5O2S2 — CID 16661005

About 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone

1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone (PubChem CID 16661005) has the molecular formula C23H27N5O2S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
• PubChem CID: 16661005
• Molecular Formula: C23H27N5O2S2
• Molecular Weight: 469.64 g/mol
• Exact Mass: 469.16
• IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
• SMILES: Cc1csc(Nc2ncc(SCC(=O)N3CCN(C)CC3)cc2OCc2ccccc2)n1
• InChI: InChI=1S/C23H27N5O2S2/c1-17-15-32-23(25-17)26-22-20(30-14-18-6-4-3-5-7-18)12-19(13-24-22)31-16-21(29)28-10-8-27(2)9-11-28/h3-7,12-13,15H,8-11,14,16H2,1-2H3,(H,24,25,26)
• InChIKey: GWSBMVQXIPFNDL-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.64
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone?

The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone (CID 16661005) is 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone.

What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone?

The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone is Cc1csc(Nc2ncc(SCC(=O)N3CCN(C)CC3)cc2OCc2ccccc2)n1.

What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone?

The InChIKey is GWSBMVQXIPFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S2/c1-17-15-32-23(25-17)26-22-20(30-14-18-6-4-3-5-7-18)12-19(13-24-22)31-16-21(29)28-10-8-27(2)9-11-28/h3-7,12-13,15H,8-11,14,16H2,1-2H3,(H,24,25,26).

What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone?

1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone has a molecular weight of 469.64 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 16661005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).