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

C8H14N4S — CID 58397876

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(N)CC2)n1
InChIInChI=1S/C8H14N4S/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12/h7H,2-5,9H2,1H3
InChIKeyUUZSHIPJTSZIPJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.77
Rot. Bonds1

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (PubChem CID 58397876) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
PubChem CID58397876
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(N)CC2)n1
InChIInChI=1S/C8H14N4S/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12/h7H,2-5,9H2,1H3
InChIKeyUUZSHIPJTSZIPJ-UHFFFAOYSA-N
XLogP0.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (CID 58397876) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is Cc1nsc(N2CCC(N)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The InChIKey is UUZSHIPJTSZIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12/h7H,2-5,9H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine has a molecular weight of 198.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 58397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).