[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C19H24N4O3S — CID 137339882

IUPAC[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ncccc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1csc(C)n1)C2
InChIInChI=1S/C19H24N4O3S/c1-13-21-17(12-27-13)19(24)23-7-14-6-22(9-16(23)11-26-10-14)8-15-4-3-5-20-18(15)25-2/h3-5,12,14,16H,6-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyYNGVEQPPHPRVIT-HOCLYGCPSA-N
MW388.49 g/mol
LogP1.83
Rot. Bonds4

About [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 137339882) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID137339882
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ncccc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1csc(C)n1)C2
InChIInChI=1S/C19H24N4O3S/c1-13-21-17(12-27-13)19(24)23-7-14-6-22(9-16(23)11-26-10-14)8-15-4-3-5-20-18(15)25-2/h3-5,12,14,16H,6-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyYNGVEQPPHPRVIT-HOCLYGCPSA-N
XLogP1.83
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 72841108
[(3aR,6aS)-2-[(2-methoxy-3-pyridinyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97453141
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(3-methyl-2-pyridinyl)methanone
CID 155918315
(4,6-dimethylpyrimidin-5-yl)-[(1S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135109177
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131656569
1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135107049
cyclopropyl-[(1S,5S)-7-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 169414621
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255
(1S,5S)-7-[(3-fluoro-2-methoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155911792

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 137339882) is [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is COc1ncccc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1csc(C)n1)C2.
What is the InChIKey of [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YNGVEQPPHPRVIT-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-21-17(12-27-13)19(24)23-7-14-6-22(9-16(23)11-26-10-14)8-15-4-3-5-20-18(15)25-2/h3-5,12,14,16H,6-11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 388.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 137339882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).