3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

C17H25F3N4O4S — CID 155863130

IUPAC3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(N)=O)CC2)CN1Cc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2S.C2HF3O2/c1-21-10-12-8-15(2-5-18(6-3-15)14(16)20)11-19(12)9-13-17-4-7-22-13;3-2(4,5)1(6)7/h4,7,12H,2-3,5-6,8-11H2,1H3,(H2,16,20);(H,6,7)
InChIKeySTYWKHPISBRPGI-UHFFFAOYSA-N
MW438.47 g/mol
LogP2.16
Rot. Bonds4

About 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155863130) has the molecular formula C17H25F3N4O4S and a molecular weight of 438.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155863130
Molecular FormulaC17H25F3N4O4S
Molecular Weight438.47 g/mol
Exact Mass438.15
IUPAC Name3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(N)=O)CC2)CN1Cc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2S.C2HF3O2/c1-21-10-12-8-15(2-5-18(6-3-15)14(16)20)11-19(12)9-13-17-4-7-22-13;3-2(4,5)1(6)7/h4,7,12H,2-3,5-6,8-11H2,1H3,(H2,16,20);(H,6,7)
InChIKeySTYWKHPISBRPGI-UHFFFAOYSA-N
XLogP2.16
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118742774
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745958
2-methyl-N-[8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide;2,2,2-trifluoroacetic acid
CID 155831559
1,1-dimethyl-3-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155838318
2-[[1-(2-Methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155845401
2-[[3-(Methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155845733
2-[[3-(Methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155845960
1-Methyl-3-[[9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155851060
2-[[8-(2-Methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854250
1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155854558
2-[[3-(Methoxymethyl)-8-(oxolan-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854980
2-[[8-(Cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155854993

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (CID 155863130) is 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(C(N)=O)CC2)CN1Cc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is STYWKHPISBRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.C2HF3O2/c1-21-10-12-8-15(2-5-18(6-3-15)14(16)20)11-19(12)9-13-17-4-7-22-13;3-2(4,5)1(6)7/h4,7,12H,2-3,5-6,8-11H2,1H3,(H2,16,20);(H,6,7).
What are the key properties of 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).