8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

C9H14N4OS — CID 66278590

IUPAC8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2,(H2,10,12)
InChIKeyCMFCVANUQYIADI-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.61
Rot. Bonds1

About 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 66278590) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID66278590
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2,(H2,10,12)
InChIKeyCMFCVANUQYIADI-UHFFFAOYSA-N
XLogP0.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 113944087
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518
8-(3-Propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65274608
8-(3-Ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65274609
8-(1,2,4-Thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65275451
8-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65275452
[1-(3-Amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 66279901
2-[1-(3-Amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 66280571
3-[1-(3-Amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66280788
8-(4-Amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80820046

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 66278590) is 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1nsc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CMFCVANUQYIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2,(H2,10,12).
What are the key properties of 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 226.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 66278590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).