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

C10H18N4S — CID 80606117

IUPAC5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)C(C)C1
InChIInChI=1S/C10H18N4S/c1-7-3-4-14(8(2)5-7)6-9-12-13-10(11)15-9/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyUXDXZNHIQQRQLZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.74
Rot. Bonds2

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

5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606117) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606117
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)C(C)C1
InChIInChI=1S/C10H18N4S/c1-7-3-4-14(8(2)5-7)6-9-12-13-10(11)15-9/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyUXDXZNHIQQRQLZ-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606117) is 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CC1CCN(Cc2nnc(N)s2)C(C)C1.
What is the InChIKey of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UXDXZNHIQQRQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-3-4-14(8(2)5-7)6-9-12-13-10(11)15-9/h7-8H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).