1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine

C9H16N4S — CID 65275986

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCCc1nsc(N2CCCC(N)C2)n1
InChIInChI=1S/C9H16N4S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6,10H2,1H3
InChIKeyVRFKBYNCNJPGSH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds2

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine (PubChem CID 65275986) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
PubChem CID65275986
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCCc1nsc(N2CCCC(N)C2)n1
InChIInChI=1S/C9H16N4S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6,10H2,1H3
InChIKeyVRFKBYNCNJPGSH-UHFFFAOYSA-N
XLogP1.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine (CID 65275986) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine is CCc1nsc(N2CCCC(N)C2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The InChIKey is VRFKBYNCNJPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6,10H2,1H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 65275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).