(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C13H16N6OS — CID 32647366

IUPAC(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H16N6OS/c1-2-10-12(21-17-16-10)13(20)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,2,5-8H2,1H3
InChIKeyQUEPXWUMTUASLS-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.85
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 32647366) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID32647366
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H16N6OS/c1-2-10-12(21-17-16-10)13(20)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,2,5-8H2,1H3
InChIKeyQUEPXWUMTUASLS-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 32647366) is (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCc1nnsc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QUEPXWUMTUASLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-2-10-12(21-17-16-10)13(20)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 304.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32647366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).