2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C17H24N4S — CID 133383596

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1ccc(C)c(N2CCN(c3nnc(C(C)C)s3)CC2)c1
InChIInChI=1S/C17H24N4S/c1-12(2)16-18-19-17(22-16)21-9-7-20(8-10-21)15-11-13(3)5-6-14(15)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyWIDXTQUXLQUAOU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133383596) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133383596
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1ccc(C)c(N2CCN(c3nnc(C(C)C)s3)CC2)c1
InChIInChI=1S/C17H24N4S/c1-12(2)16-18-19-17(22-16)21-9-7-20(8-10-21)15-11-13(3)5-6-14(15)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyWIDXTQUXLQUAOU-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 133383596) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)s3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is WIDXTQUXLQUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12(2)16-18-19-17(22-16)21-9-7-20(8-10-21)15-11-13(3)5-6-14(15)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 316.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133383596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).