3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole

C13H18N6S — CID 133335405

IUPAC3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-10(2)12-16-13(20-17-12)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyAVADXZKHSWRQBN-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.78
Rot. Bonds3

About 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole

3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 133335405) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID133335405
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-10(2)12-16-13(20-17-12)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyAVADXZKHSWRQBN-UHFFFAOYSA-N
XLogP1.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 163354824
4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
CID 133272186
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
4-pyrazin-2-ylthiomorpholine
CID 131156249
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole (CID 133335405) is 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole is CC(C)c1nsc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is AVADXZKHSWRQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-10(2)12-16-13(20-17-12)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole?
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 290.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 133335405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).