3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole

C15H24N6S — CID 75499077

IUPAC3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(c3nncn3C(C)C)CC2)n1
InChIInChI=1S/C15H24N6S/c1-10(2)13-17-15(22-19-13)20-7-5-12(6-8-20)14-18-16-9-21(14)11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyJGQTZRPFRXXQQT-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.22
Rot. Bonds4

About 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 75499077) has the molecular formula C15H24N6S and a molecular weight of 320.47 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID75499077
Molecular FormulaC15H24N6S
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC Name3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(c3nncn3C(C)C)CC2)n1
InChIInChI=1S/C15H24N6S/c1-10(2)13-17-15(22-19-13)20-7-5-12(6-8-20)14-18-16-9-21(14)11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyJGQTZRPFRXXQQT-UHFFFAOYSA-N
XLogP3.22
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 75499077) is 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole is CC(C)c1nsc(N2CCC(c3nncn3C(C)C)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JGQTZRPFRXXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6S/c1-10(2)13-17-15(22-19-13)20-7-5-12(6-8-20)14-18-16-9-21(14)11(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 320.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 75499077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).