5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C11H18N4S2 — CID 103363654

IUPAC5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CN2CCC1CC2
InChIInChI=1S/C11H18N4S2/c1-16-9-10(12)14-17-11(9)13-8-6-15-4-2-7(8)3-5-15/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyQEMRNLWVWSPRFP-UHFFFAOYSA-N
MW270.43 g/mol
LogP1.95
Rot. Bonds3

About 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103363654) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103363654
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC Name5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1CN2CCC1CC2
InChIInChI=1S/C11H18N4S2/c1-16-9-10(12)14-17-11(9)13-8-6-15-4-2-7(8)3-5-15/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyQEMRNLWVWSPRFP-UHFFFAOYSA-N
XLogP1.95
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382579
3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382582
4-methylsulfanyl-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096898
ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
N-(4-methylsulfanylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121567
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982082
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 106559020
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-4,5-diamine
CID 43451270
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756463

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103363654) is 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC1CN2CCC1CC2.
What is the InChIKey of 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is QEMRNLWVWSPRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c1-16-9-10(12)14-17-11(9)13-8-6-15-4-2-7(8)3-5-15/h7-8,13H,2-6H2,1H3,(H2,12,14).
What are the key properties of 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 270.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).