2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole

C17H24N4S — CID 133435785

IUPAC2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCCCC1CN(c2nnc(C)s2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N4S/c1-3-7-16-13-21(17-19-18-14(2)22-17)11-10-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKeyWMFXAUCZQVCNMH-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole

2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 133435785) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID133435785
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCCCC1CN(c2nnc(C)s2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N4S/c1-3-7-16-13-21(17-19-18-14(2)22-17)11-10-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKeyWMFXAUCZQVCNMH-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 133435785) is 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is CCCC1CN(c2nnc(C)s2)CCN1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is WMFXAUCZQVCNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-3-7-16-13-21(17-19-18-14(2)22-17)11-10-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 316.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 133435785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).