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

C9H16N4S — CID 79021795

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C9H16N4S/c1-7-2-4-13(5-3-7)6-8-11-12-9(10)14-8/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyXAFAXAXHZWCPFB-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.35
Rot. Bonds2

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

5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79021795) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID79021795
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C9H16N4S/c1-7-2-4-13(5-3-7)6-8-11-12-9(10)14-8/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyXAFAXAXHZWCPFB-UHFFFAOYSA-N
XLogP1.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 79021795) is 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CC1CCN(Cc2nnc(N)s2)CC1.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XAFAXAXHZWCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-2-4-13(5-3-7)6-8-11-12-9(10)14-8/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79021795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).