2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide

C25H29N5O2S — CID 163368421

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2)s1
InChIInChI=1S/C25H29N5O2S/c1-19(31)27-25-26-16-23(33-25)17-29-11-13-30(14-12-29)18-24(32)28-22-9-7-21(8-10-22)15-20-5-3-2-4-6-20/h2-10,16H,11-15,17-18H2,1H3,(H,28,32)(H,26,27,31)
InChIKeyVFOGKPVKQKLTLU-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.45
Rot. Bonds8

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide (PubChem CID 163368421) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide
PubChem CID163368421
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2)s1
InChIInChI=1S/C25H29N5O2S/c1-19(31)27-25-26-16-23(33-25)17-29-11-13-30(14-12-29)18-24(32)28-22-9-7-21(8-10-22)15-20-5-3-2-4-6-20/h2-10,16H,11-15,17-18H2,1H3,(H,28,32)(H,26,27,31)
InChIKeyVFOGKPVKQKLTLU-UHFFFAOYSA-N
XLogP3.45
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide (CID 163368421) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide?
The InChIKey is VFOGKPVKQKLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-19(31)27-25-26-16-23(33-25)17-29-11-13-30(14-12-29)18-24(32)28-22-9-7-21(8-10-22)15-20-5-3-2-4-6-20/h2-10,16H,11-15,17-18H2,1H3,(H,28,32)(H,26,27,31).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide has a molecular weight of 463.61 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide is sourced from PubChem (CID 163368421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).