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

C24H27N5O3S — CID 141259699

IUPAC1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESCC(=O)Nc1ccc(-c2cccc(N3CCC(CNC(=O)OCc4cscn4)CC3)n2)cc1
InChIInChI=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)
InChIKeyVBKXMJOVNKWNSL-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.31
Rot. Bonds7

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 Name1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
PubChem CID141259699
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESCC(=O)Nc1ccc(-c2cccc(N3CCC(CNC(=O)OCc4cscn4)CC3)n2)cc1
InChIInChI=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)
InChIKeyVBKXMJOVNKWNSL-UHFFFAOYSA-N
XLogP4.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).