2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C13H16N6OS — CID 62800155

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESNc1nc(CC(=O)N2CCN(c3cnccn3)CC2)cs1
InChIInChI=1S/C13H16N6OS/c14-13-17-10(9-21-13)7-12(20)19-5-3-18(4-6-19)11-8-15-1-2-16-11/h1-2,8-9H,3-7H2,(H2,14,17)
InChIKeyKUHWUWMTPPQGPF-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 62800155) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID62800155
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESNc1nc(CC(=O)N2CCN(c3cnccn3)CC2)cs1
InChIInChI=1S/C13H16N6OS/c14-13-17-10(9-21-13)7-12(20)19-5-3-18(4-6-19)11-8-15-1-2-16-11/h1-2,8-9H,3-7H2,(H2,14,17)
InChIKeyKUHWUWMTPPQGPF-UHFFFAOYSA-N
XLogP0.41
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone
CID 116575743
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 33114380
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 62800155) is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is Nc1nc(CC(=O)N2CCN(c3cnccn3)CC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KUHWUWMTPPQGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-13-17-10(9-21-13)7-12(20)19-5-3-18(4-6-19)11-8-15-1-2-16-11/h1-2,8-9H,3-7H2,(H2,14,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 304.38 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62800155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).