2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole

C10H17N3S — CID 82470870

IUPAC2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C10H17N3S/c1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyAYDVTDAXIDYXIR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.13
Rot. Bonds2

About 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole

2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 82470870) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID82470870
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C10H17N3S/c1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyAYDVTDAXIDYXIR-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole (CID 82470870) is 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C2CCNCC2)s1.
What is the InChIKey of 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is AYDVTDAXIDYXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole?
2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 82470870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).