1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

C24H27N5O3S — CID 141259699

About 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (PubChem CID 141259699) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
• PubChem CID: 141259699
• Molecular Formula: C24H27N5O3S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.18
• IUPAC Name: 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
• SMILES: CC(=O)Nc1ccc(-c2cccc(N3CCC(CNC(=O)OCc4cscn4)CC3)n2)cc1
• InChI: InChI=1S/C24H27N5O3S/c1-17(30)27-20-7-5-19(6-8-20)22-3-2-4-23(28-22)29-11-9-18(10-12-29)13-25-24(31)32-14-21-15-33-16-26-21/h2-8,15-16,18H,9-14H2,1H3,(H,25,31)(H,27,30)
• InChIKey: VBKXMJOVNKWNSL-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The IUPAC name of 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (CID 141259699) is 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

What is the SMILES notation for 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The canonical SMILES for 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is CC(=O)Nc1ccc(-c2cccc(N3CCC(CNC(=O)OCc4cscn4)CC3)n2)cc1.

What is the InChIKey of 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The InChIKey is VBKXMJOVNKWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-17(30)27-20-7-5-19(6-8-20)22-3-2-4-23(28-22)29-11-9-18(10-12-29)13-25-24(31)32-14-21-15-33-16-26-21/h2-8,15-16,18H,9-14H2,1H3,(H,25,31)(H,27,30).

What are the key properties of 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 465.58 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 141259699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).