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

C14H19N7OS — CID 175454326

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
SMILESNc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1
InChIInChI=1S/C14H19N7OS/c15-14-18-7-11(23-14)9-20-3-5-21(6-4-20)10-13(22)19-12-8-16-1-2-17-12/h1-2,7-8H,3-6,9-10H2,(H2,15,18)(H,17,19,22)
InChIKeyQSFWHTSAIOJGSV-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.27
Rot. Bonds5

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

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide (PubChem CID 175454326) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
PubChem CID175454326
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
SMILESNc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1
InChIInChI=1S/C14H19N7OS/c15-14-18-7-11(23-14)9-20-3-5-21(6-4-20)10-13(22)19-12-8-16-1-2-17-12/h1-2,7-8H,3-6,9-10H2,(H2,15,18)(H,17,19,22)
InChIKeyQSFWHTSAIOJGSV-UHFFFAOYSA-N
XLogP0.27
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide (CID 175454326) is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide is Nc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
The InChIKey is QSFWHTSAIOJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c15-14-18-7-11(23-14)9-20-3-5-21(6-4-20)10-13(22)19-12-8-16-1-2-17-12/h1-2,7-8H,3-6,9-10H2,(H2,15,18)(H,17,19,22).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide?
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide has a molecular weight of 333.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 175454326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).