4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole

C19H27N5S — CID 72917478

IUPAC4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
SMILESCC(C)c1nnsc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2
InChIInChI=1S/C19H27N5S/c1-14(2)19-18(25-22-21-19)13-24-10-15-6-7-17(24)12-23(9-15)11-16-5-3-4-8-20-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3/t15-,17+/m0/s1
InChIKeyCOVAWCUCLQMVCK-DOTOQJQBSA-N
MW357.53 g/mol
LogP3.15
Rot. Bonds5

About 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole

4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole (PubChem CID 72917478) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
PubChem CID72917478
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
SMILESCC(C)c1nnsc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2
InChIInChI=1S/C19H27N5S/c1-14(2)19-18(25-22-21-19)13-24-10-15-6-7-17(24)12-23(9-15)11-16-5-3-4-8-20-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3/t15-,17+/m0/s1
InChIKeyCOVAWCUCLQMVCK-DOTOQJQBSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole 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

4-methyl-5-[[(1R,5S)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
CID 155557256
2-methyl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
CID 72838979
2-ethyl-4-[[(1R,5S)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3-thiazole
CID 164631173
(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72891861
(1S,5R)-3-(3-methoxypropyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72921867
(1S,5R)-6-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72852497
(1S,5R)-6-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72884472
3-[(1S,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propanamide
CID 72895868
4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine
CID 70785902
(1S,5R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70719751
(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 164641183
(1R,5S)-6-[(3-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133134963

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole?
The IUPAC name of 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole (CID 72917478) is 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole.
What is the SMILES notation for 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole?
The canonical SMILES for 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole is CC(C)c1nnsc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2.
What is the InChIKey of 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole?
The InChIKey is COVAWCUCLQMVCK-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H27N5S/c1-14(2)19-18(25-22-21-19)13-24-10-15-6-7-17(24)12-23(9-15)11-16-5-3-4-8-20-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole?
4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole has a molecular weight of 357.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole is sourced from PubChem (CID 72917478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).