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

C12H17N3OS — CID 97052703

IUPAC(1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2/t8-,9+,10?
InChIKeyFWSMEWZGEATKQY-ULKQDVFKSA-N
MW251.35 g/mol
LogP1.91
Rot. Bonds2

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

(1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 97052703) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID97052703
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2/t8-,9+,10?
InChIKeyFWSMEWZGEATKQY-ULKQDVFKSA-N
XLogP1.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 126814625
1-[1-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
CID 126829539
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 126954581
8-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 113944087
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65273211
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518
2-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274600
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274601
2-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274602
8-[3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65274607
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

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 97052703) is (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2c1nc(C2CC2)ns1.
What is the InChIKey of (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FWSMEWZGEATKQY-ULKQDVFKSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2/t8-,9+,10?.
What are the key properties of (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 97052703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).