N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine

C9H14N4S — CID 107648546

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCN3CCC2C3)s1
InChIInChI=1S/C9H14N4S/c1-3-13-4-2-8(7(1)5-13)11-9-12-10-6-14-9/h6-8H,1-5H2,(H,11,12)
InChIKeyGLKFZZVFYGVHKF-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.04
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine

N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648546) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648546
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCN3CCC2C3)s1
InChIInChI=1S/C9H14N4S/c1-3-13-4-2-8(7(1)5-13)11-9-12-10-6-14-9/h6-8H,1-5H2,(H,11,12)
InChIKeyGLKFZZVFYGVHKF-UHFFFAOYSA-N
XLogP1.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[3.2.1]octan-4-yl)-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

Related Compounds

N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine
CID 130863721
N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165420
N-(2,3-dimethylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 64922824
N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364132
N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
CID 112709119
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine
CID 107648654
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
N-(2-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 114695446
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808
(4aR,8aS)-N-(1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95132756

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine (CID 107648546) is N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine is c1nnc(NC2CCN3CCC2C3)s1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GLKFZZVFYGVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-3-13-4-2-8(7(1)5-13)11-9-12-10-6-14-9/h6-8H,1-5H2,(H,11,12).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine?
N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 210.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).