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

C13H24N4S — CID 166030514

IUPAC2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C(C)C)C(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-9(2)12-14-15-13(18-12)16-6-7-17(10(3)4)11(5)8-16/h9-11H,6-8H2,1-5H3
InChIKeyCEPYTGRBIBDBKV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.58
Rot. Bonds3

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

2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 166030514) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID166030514
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C(C)C)C(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-9(2)12-14-15-13(18-12)16-6-7-17(10(3)4)11(5)8-16/h9-11H,6-8H2,1-5H3
InChIKeyCEPYTGRBIBDBKV-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (CID 166030514) is 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CCN(C(C)C)C(C)C2)s1.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is CEPYTGRBIBDBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-9(2)12-14-15-13(18-12)16-6-7-17(10(3)4)11(5)8-16/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 268.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 166030514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).