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

C8H14N4S — CID 6917207

IUPAC5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCN(c2nnc(N)s2)C1
InChIInChI=1S/C8H14N4S/c1-6-3-2-4-12(5-6)8-11-10-7(9)13-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQNJGKWHCNPFPQO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.36
Rot. Bonds1

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

5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 6917207) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID6917207
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCN(c2nnc(N)s2)C1
InChIInChI=1S/C8H14N4S/c1-6-3-2-4-12(5-6)8-11-10-7(9)13-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQNJGKWHCNPFPQO-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (CID 6917207) is 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is CC1CCCN(c2nnc(N)s2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QNJGKWHCNPFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-3-2-4-12(5-6)8-11-10-7(9)13-8/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6917207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).