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

C8H14N4S — CID 65275797

IUPAC4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCC1CCN(c2ncns2)CC1N
InChIInChI=1S/C8H14N4S/c1-6-2-3-12(4-7(6)9)8-10-5-11-13-8/h5-7H,2-4,9H2,1H3
InChIKeyMLNSFZXPFAKFHW-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.71
Rot. Bonds1

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

4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine (PubChem CID 65275797) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
PubChem CID65275797
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCC1CCN(c2ncns2)CC1N
InChIInChI=1S/C8H14N4S/c1-6-2-3-12(4-7(6)9)8-10-5-11-13-8/h5-7H,2-4,9H2,1H3
InChIKeyMLNSFZXPFAKFHW-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The IUPAC name of 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine (CID 65275797) is 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The canonical SMILES for 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine is CC1CCN(c2ncns2)CC1N.
What is the InChIKey of 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The InChIKey is MLNSFZXPFAKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-2-3-12(4-7(6)9)8-10-5-11-13-8/h5-7H,2-4,9H2,1H3.
What are the key properties of 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine has a molecular weight of 198.29 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 65275797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).