5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole

C13H18N6S — CID 174704972

IUPAC5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2nc(-c3cnc(C)nc3)ns2)CC1
InChIInChI=1S/C13H18N6S/c1-3-18-4-6-19(7-5-18)13-16-12(17-20-13)11-8-14-10(2)15-9-11/h8-9H,3-7H2,1-2H3
InChIKeyFSPQPZZRQOHQRR-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.45
Rot. Bonds3

About 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole

5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole (PubChem CID 174704972) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole
PubChem CID174704972
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2nc(-c3cnc(C)nc3)ns2)CC1
InChIInChI=1S/C13H18N6S/c1-3-18-4-6-19(7-5-18)13-16-12(17-20-13)11-8-14-10(2)15-9-11/h8-9H,3-7H2,1-2H3
InChIKeyFSPQPZZRQOHQRR-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole (CID 174704972) is 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole is CCN1CCN(c2nc(-c3cnc(C)nc3)ns2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole?
The InChIKey is FSPQPZZRQOHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-3-18-4-6-19(7-5-18)13-16-12(17-20-13)11-8-14-10(2)15-9-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole?
5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole has a molecular weight of 290.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 174704972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).