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

C8H14N4S — CID 65208321

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine
SMILESCc1nnc(N2CCCC(N)C2)s1
InChIInChI=1S/C8H14N4S/c1-6-10-11-8(13-6)12-4-2-3-7(9)5-12/h7H,2-5,9H2,1H3
InChIKeyLVYNPQNMKCOINA-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.77
Rot. Bonds1

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine (PubChem CID 65208321) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine
PubChem CID65208321
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine
SMILESCc1nnc(N2CCCC(N)C2)s1
InChIInChI=1S/C8H14N4S/c1-6-10-11-8(13-6)12-4-2-3-7(9)5-12/h7H,2-5,9H2,1H3
InChIKeyLVYNPQNMKCOINA-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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine (CID 65208321) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine is Cc1nnc(N2CCCC(N)C2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine?
The InChIKey is LVYNPQNMKCOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-10-11-8(13-6)12-4-2-3-7(9)5-12/h7H,2-5,9H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine?
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-amine is sourced from PubChem (CID 65208321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).