N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine

C13H20N4S — CID 112681783

IUPACN-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1C2CCC1CC(c1nsc(NC3CC3)n1)C2
InChIInChI=1S/C13H20N4S/c1-17-10-4-5-11(17)7-8(6-10)12-15-13(18-16-12)14-9-2-3-9/h8-11H,2-7H2,1H3,(H,14,15,16)
InChIKeyMWWAWGUHTGWOFV-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.45
Rot. Bonds3

About N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 112681783) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID112681783
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1C2CCC1CC(c1nsc(NC3CC3)n1)C2
InChIInChI=1S/C13H20N4S/c1-17-10-4-5-11(17)7-8(6-10)12-15-13(18-16-12)14-9-2-3-9/h8-11H,2-7H2,1H3,(H,14,15,16)
InChIKeyMWWAWGUHTGWOFV-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 112681785
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65471658
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334094
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 97161055
N-cyclopropyl-3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79085205
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine (CID 112681783) is N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine is CN1C2CCC1CC(c1nsc(NC3CC3)n1)C2.
What is the InChIKey of N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MWWAWGUHTGWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-17-10-4-5-11(17)7-8(6-10)12-15-13(18-16-12)14-9-2-3-9/h8-11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 264.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 112681783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).