2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C15H24N4O2S — CID 97489526

IUPAC2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCN(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1
InChIInChI=1S/C15H24N4O2S/c1-18(2)9-13(20)19-6-3-4-15(11-19)8-12(10-21-15)17-14-16-5-7-22-14/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,16,17)/t12-,15+/m0/s1
InChIKeyONKVVPYWBAMIQD-SWLSCSKDSA-N
MW324.45 g/mol
LogP1.27
Rot. Bonds4

About 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97489526) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID97489526
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCN(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1
InChIInChI=1S/C15H24N4O2S/c1-18(2)9-13(20)19-6-3-4-15(11-19)8-12(10-21-15)17-14-16-5-7-22-14/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,16,17)/t12-,15+/m0/s1
InChIKeyONKVVPYWBAMIQD-SWLSCSKDSA-N
XLogP1.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712
9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071332
1-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 131650836
1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
CID 97489734
N,N-dimethyl-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155840866
8-[(1-methylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155837965
(3S,5R)-7-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520610
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97397330
(5-methylpyrazin-2-yl)-[(3R,5R)-3-(pyridin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489283
[(3S,5R)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97371127
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 131646415
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97489526) is 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is CN(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1.
What is the InChIKey of 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is ONKVVPYWBAMIQD-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-18(2)9-13(20)19-6-3-4-15(11-19)8-12(10-21-15)17-14-16-5-7-22-14/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,16,17)/t12-,15+/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 324.45 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3S,5R)-3-(1,3-thiazol-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).