2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol

C12H19N3OS2 — CID 19600305

IUPAC2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol
SMILESCCCSc1nsnc1C1CCC2CN1CC2O
InChIInChI=1S/C12H19N3OS2/c1-2-5-17-12-11(13-18-14-12)9-4-3-8-6-15(9)7-10(8)16/h8-10,16H,2-7H2,1H3
InChIKeyPHNYSOYQNNWGIE-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol

2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol (PubChem CID 19600305) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol
PubChem CID19600305
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol
SMILESCCCSc1nsnc1C1CCC2CN1CC2O
InChIInChI=1S/C12H19N3OS2/c1-2-5-17-12-11(13-18-14-12)9-4-3-8-6-15(9)7-10(8)16/h8-10,16H,2-7H2,1H3
InChIKeyPHNYSOYQNNWGIE-UHFFFAOYSA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-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

3-[(5S,6S)-1-azabicyclo[3.2.1]octan-6-yl]-4-pentylsulfanyl-1,2,5-thiadiazole
CID 100925167
3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole
CID 10736306
3-[(5S,6S)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 131719928
3-butylsulfanyl-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole
CID 18704932
bis[2-[[4-(1-azabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]ethyl] oxalate
CID 57206230
3-butylsulfanyl-4-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazole iodide
CID 18704928
3-chloro-4-propylsulfanyl-1,2,5-thiadiazole;oxalonitrile
CID 159034013
2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
CID 16773485
3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-4-hexylsulfanyl-1,2,5-thiadiazole
CID 10758615
3-(1-azabicyclo[2.2.2]octan-3-ylmethoxy)-4-butylsulfanyl-1,2,5-thiadiazole
CID 19600360
3-(1-azabicyclo[3.2.1]octan-2-yl)-4-chloro-1,2,5-thiadiazole
CID 140968368
3-[(5S)-1-azabicyclo[3.2.1]octan-6-yl]-4-butyl-1,2,5-thiadiazole
CID 10444878

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol (CID 19600305) is 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol is CCCSc1nsnc1C1CCC2CN1CC2O.
What is the InChIKey of 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is PHNYSOYQNNWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-2-5-17-12-11(13-18-14-12)9-4-3-8-6-15(9)7-10(8)16/h8-10,16H,2-7H2,1H3.
What are the key properties of 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol?
2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 285.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 19600305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).