[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C11H15N3O2S — CID 98193203

IUPAC[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C11H15N3O2S/c1-6-12-10(17-13-6)11(16)14-7-2-3-8(14)5-9(15)4-7/h7-9,15H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyUMBRENSGSSXEHG-YUMQZZPRSA-N
MW253.33 g/mol
LogP0.97
Rot. Bonds1

About [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 98193203) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID98193203
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C11H15N3O2S/c1-6-12-10(17-13-6)11(16)14-7-2-3-8(14)5-9(15)4-7/h7-9,15H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyUMBRENSGSSXEHG-YUMQZZPRSA-N
XLogP0.97
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 98193203) is [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)n1.
What is the InChIKey of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is UMBRENSGSSXEHG-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-12-10(17-13-6)11(16)14-7-2-3-8(14)5-9(15)4-7/h7-9,15H,2-5H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 253.33 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 98193203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).