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

C10H17N3S — CID 130161907

IUPAC5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-8(2)9-11-10(14-12-9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyKCCDNNJHMYAAMV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.65
Rot. Bonds2

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

5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 130161907) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID130161907
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-8(2)9-11-10(14-12-9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyKCCDNNJHMYAAMV-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole (CID 130161907) is 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCCCC2)n1.
What is the InChIKey of 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is KCCDNNJHMYAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(2)9-11-10(14-12-9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 130161907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).