N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

C19H26F3N3O3S — CID 155848272

IUPACN-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC12CCN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3OS.C2HF3O2/c21-16(13-2-1-3-13)19-11-14-10-17(14)4-7-20(8-5-17)12-15-18-6-9-22-15;3-2(4,5)1(6)7/h6,9,13-14H,1-5,7-8,10-12H2,(H,19,21);(H,6,7)
InChIKeyJLXLRBGISKGTBS-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.29
Rot. Bonds5

About N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155848272) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155848272
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC NameN-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC12CCN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3OS.C2HF3O2/c21-16(13-2-1-3-13)19-11-14-10-17(14)4-7-20(8-5-17)12-15-18-6-9-22-15;3-2(4,5)1(6)7/h6,9,13-14H,1-5,7-8,10-12H2,(H,19,21);(H,6,7)
InChIKeyJLXLRBGISKGTBS-UHFFFAOYSA-N
XLogP3.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118743510
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118743531
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110738836
N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 127267363
1,1-Dimethyl-3-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155832084
N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832389
2-(Cyclopropylmethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155833533
1-pyrrolidin-1-yl-2-[(1R,5S)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836833
1-[1-(1,3-Thiazol-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155840110
2-(Cyclopropylmethyl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155840563
N-propan-2-yl-2-[(1S,5R)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841106
2-Methyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155851009

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (CID 155848272) is N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC12CCN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JLXLRBGISKGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.C2HF3O2/c21-16(13-2-1-3-13)19-11-14-10-17(14)4-7-20(8-5-17)12-15-18-6-9-22-15;3-2(4,5)1(6)7/h6,9,13-14H,1-5,7-8,10-12H2,(H,19,21);(H,6,7).
What are the key properties of N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).