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

C8H14N4S — CID 115313434

IUPAC2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1nncs1
InChIInChI=1S/C8H14N4S/c1-6-4-7(9)2-3-12(6)8-11-10-5-13-8/h5-7H,2-4,9H2,1H3
InChIKeyDTQPYOZOHMJZQO-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.85
Rot. Bonds1

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

2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 115313434) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID115313434
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1nncs1
InChIInChI=1S/C8H14N4S/c1-6-4-7(9)2-3-12(6)8-11-10-5-13-8/h5-7H,2-4,9H2,1H3
InChIKeyDTQPYOZOHMJZQO-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 115313434) is 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine is CC1CC(N)CCN1c1nncs1.
What is the InChIKey of 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is DTQPYOZOHMJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-4-7(9)2-3-12(6)8-11-10-5-13-8/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 198.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 115313434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).