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

C12H22N4S — CID 166030528

IUPAC2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)11-13-14-12(17-11)16-7-5-15(6-8-16)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZEZPXQDWCSIGJI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.19
Rot. Bonds3

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

2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 166030528) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID166030528
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)11-13-14-12(17-11)16-7-5-15(6-8-16)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZEZPXQDWCSIGJI-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole (CID 166030528) is 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole is CC(C)c1nnc(N2CCN(C(C)C)CC2)s1.
What is the InChIKey of 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is ZEZPXQDWCSIGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)11-13-14-12(17-11)16-7-5-15(6-8-16)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 254.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 166030528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).