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

C13H23N3S — CID 166030935

IUPAC2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C13H23N3S/c1-9(2)12-14-15-13(17-12)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVSEIRUCUYKCATK-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.25
Rot. Bonds3

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

2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 166030935) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID166030935
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C13H23N3S/c1-9(2)12-14-15-13(17-12)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVSEIRUCUYKCATK-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole (CID 166030935) is 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole is CC(C)c1nnc(C2CCN(C(C)C)CC2)s1.
What is the InChIKey of 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is VSEIRUCUYKCATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)12-14-15-13(17-12)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 253.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 166030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).