[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid

C18H26F3N3O4S — CID 155827268

IUPAC[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C)CC12CCN(C(=O)c1csc(C)n1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-12-17-14(10-22-12)15(20)19-6-4-16(5-7-19)11-18(2)8-13(16)9-21-3;3-2(4,5)1(6)7/h10,13H,4-9,11H2,1-3H3;(H,6,7)
InChIKeyGUPBVHLPFPXPHK-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.52
Rot. Bonds3

About [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid

[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155827268) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155827268
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC Name[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C)CC12CCN(C(=O)c1csc(C)n1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-12-17-14(10-22-12)15(20)19-6-4-16(5-7-19)11-18(2)8-13(16)9-21-3;3-2(4,5)1(6)7/h10,13H,4-9,11H2,1-3H3;(H,6,7)
InChIKeyGUPBVHLPFPXPHK-UHFFFAOYSA-N
XLogP2.52
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72868948
1-[3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742784
1-[2-(Trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 121903115
(3S)-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 121903747
2-[1-[2-(Trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 121904123
1-[2-[Methyl-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetyl]piperidine-3-carboxylic acid
CID 121911196
(3aS,7aS)-2-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 121913151
3-Propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 121915625
3-(Methoxymethyl)-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 121915854
3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 121990688
(2R,3R)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122116706
5-Methyl-1-[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117347

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid (CID 155827268) is [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid is COCC1CN(C)CC12CCN(C(=O)c1csc(C)n1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GUPBVHLPFPXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S.C2HF3O2/c1-12-17-14(10-22-12)15(20)19-6-4-16(5-7-19)11-18(2)8-13(16)9-21-3;3-2(4,5)1(6)7/h10,13H,4-9,11H2,1-3H3;(H,6,7).
What are the key properties of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 437.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).