(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H26N4O2S — CID 125025083

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2
InChIInChI=1S/C20H26N4O2S/c1-14-17(27-19(21)22-14)18(25)24-10-8-20(9-11-24)12-16(13-26-20)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22)/t16-/m1/s1
InChIKeyZKBMSUQQMZRYBY-MRXNPFEDSA-N
MW386.52 g/mol
LogP2.93
Rot. Bonds3

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 125025083) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID125025083
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2
InChIInChI=1S/C20H26N4O2S/c1-14-17(27-19(21)22-14)18(25)24-10-8-20(9-11-24)12-16(13-26-20)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22)/t16-/m1/s1
InChIKeyZKBMSUQQMZRYBY-MRXNPFEDSA-N
XLogP2.93
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667
[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980773
[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110142221
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980772
6-methyl-4-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyrimidin-2-one
CID 125015333
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124958394
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone
CID 124944438
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
(2-amino-6-methylpyrimidin-4-yl)-[(3S)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124982109

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 125025083) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1nc(N)sc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is ZKBMSUQQMZRYBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-17(27-19(21)22-14)18(25)24-10-8-20(9-11-24)12-16(13-26-20)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22)/t16-/m1/s1.
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 386.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 125025083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).