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

C12H19N3OS — CID 65274608

IUPAC8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3OS/c1-2-3-11-13-12(17-14-11)15-8-4-5-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3
InChIKeyMMRDOBKOMSCUGI-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.98
Rot. Bonds3

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

8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65274608) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65274608
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3OS/c1-2-3-11-13-12(17-14-11)15-8-4-5-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3
InChIKeyMMRDOBKOMSCUGI-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65274608) is 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is CCCc1nsc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MMRDOBKOMSCUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-3-11-13-12(17-14-11)15-8-4-5-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3.
What are the key properties of 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 253.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65274608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).