5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole

C11H20N4S — CID 168726604

IUPAC5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C11H20N4S/c1-9-12-10(16-13-9)14-5-7-15(8-6-14)11(2,3)4/h5-8H2,1-4H3
InChIKeyZALUYOUMSNLLSX-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.77
Rot. Bonds1

About 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole

5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 168726604) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID168726604
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C11H20N4S/c1-9-12-10(16-13-9)14-5-7-15(8-6-14)11(2,3)4/h5-8H2,1-4H3
InChIKeyZALUYOUMSNLLSX-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole (CID 168726604) is 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZALUYOUMSNLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-12-10(16-13-9)14-5-7-15(8-6-14)11(2,3)4/h5-8H2,1-4H3.
What are the key properties of 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole?
5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 240.38 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 168726604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).