[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C19H29N3O2S — CID 155559524

IUPAC[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cs1
InChIInChI=1S/C19H29N3O2S/c1-13(2)18-20-17(12-25-18)19(23)22-10-14-3-4-16(22)11-21(9-14)15-5-7-24-8-6-15/h12-16H,3-11H2,1-2H3/t14-,16+/m1/s1
InChIKeyRTBNIOZCXTUTSY-ZBFHGGJFSA-N
MW363.53 g/mol
LogP2.98
Rot. Bonds3

About [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 155559524) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID155559524
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cs1
InChIInChI=1S/C19H29N3O2S/c1-13(2)18-20-17(12-25-18)19(23)22-10-14-3-4-16(22)11-21(9-14)15-5-7-24-8-6-15/h12-16H,3-11H2,1-2H3/t14-,16+/m1/s1
InChIKeyRTBNIOZCXTUTSY-ZBFHGGJFSA-N
XLogP2.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

{(3R*,5R*)-5-(morpholin-4-ylmethyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}methanol
CID 72894631
[2-(methylamino)-1,3-thiazol-4-yl]-[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 155541021
(1R,5S)-3-(oxan-4-yl)-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 155563650
(3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72861374
(1S*,5R*)-3-(tetrahydro-2H-pyran-4-yl)-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70715137
N-methyl-4-{[(1S*,5R*)-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-1,3-thiazol-2-amine
CID 72853701
(1S*,5R*)-6-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 72894326
(1S*,5R*)-6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 133112395
[(6S)-6-cyclobutyl-1,4-oxazepan-4-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 164629011
(1R,5S)-3-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 164636695
(3-Morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 45173605
Azepan-1-yl-[2-(1-cyclopentylpiperidin-4-yl)-1,3-thiazol-4-yl]methanone
CID 16062842

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 155559524) is [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cs1.
What is the InChIKey of [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is RTBNIOZCXTUTSY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13(2)18-20-17(12-25-18)19(23)22-10-14-3-4-16(22)11-21(9-14)15-5-7-24-8-6-15/h12-16H,3-11H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 363.53 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 155559524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).