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

C13H22N4S — CID 114165420

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCN3CCC2C3)s1
InChIInChI=1S/C13H22N4S/c1-9(2)7-12-15-16-13(18-12)14-11-4-6-17-5-3-10(11)8-17/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyBPCYSHZCHZYSKW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.24
Rot. Bonds4

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

N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114165420) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID114165420
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCN3CCC2C3)s1
InChIInChI=1S/C13H22N4S/c1-9(2)7-12-15-16-13(18-12)14-11-4-6-17-5-3-10(11)8-17/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyBPCYSHZCHZYSKW-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648546
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 114165420) is N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCN3CCC2C3)s1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BPCYSHZCHZYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)7-12-15-16-13(18-12)14-11-4-6-17-5-3-10(11)8-17/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.24, 4 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)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114165420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).