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

C16H21N7O2S — CID 163368436

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1
InChIInChI=1S/C16H21N7O2S/c1-12(24)20-16-19-8-13(26-16)10-22-4-6-23(7-5-22)11-15(25)21-14-9-17-2-3-18-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,21,25)(H,19,20,24)
InChIKeyUTNLKTDCLBGJNQ-UHFFFAOYSA-N
MW375.46 g/mol
LogP0.65
Rot. Bonds6

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

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide (PubChem CID 163368436) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
PubChem CID163368436
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1
InChIInChI=1S/C16H21N7O2S/c1-12(24)20-16-19-8-13(26-16)10-22-4-6-23(7-5-22)11-15(25)21-14-9-17-2-3-18-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,21,25)(H,19,20,24)
InChIKeyUTNLKTDCLBGJNQ-UHFFFAOYSA-N
XLogP0.65
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-pyrazin-2-ylacetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide (CID 163368436) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
The InChIKey is UTNLKTDCLBGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2S/c1-12(24)20-16-19-8-13(26-16)10-22-4-6-23(7-5-22)11-15(25)21-14-9-17-2-3-18-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,21,25)(H,19,20,24).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide has a molecular weight of 375.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-pyrazin-2-ylacetamide is sourced from PubChem (CID 163368436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).