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

C9H16N4S — CID 130505371

IUPAC3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(C)CN(c2nncs2)CCC1N
InChIInChI=1S/C9H16N4S/c1-9(2)5-13(4-3-7(9)10)8-12-11-6-14-8/h6-7H,3-5,10H2,1-2H3
InChIKeyCVALHHWHKGVRNB-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.10
Rot. Bonds1

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

3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 130505371) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID130505371
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(C)CN(c2nncs2)CCC1N
InChIInChI=1S/C9H16N4S/c1-9(2)5-13(4-3-7(9)10)8-12-11-6-14-8/h6-7H,3-5,10H2,1-2H3
InChIKeyCVALHHWHKGVRNB-UHFFFAOYSA-N
XLogP1.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-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 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 130505371) is 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine is CC1(C)CN(c2nncs2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is CVALHHWHKGVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(2)5-13(4-3-7(9)10)8-12-11-6-14-8/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine?
3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 212.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 130505371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).