[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid

C20H24F3N3O3S2 — CID 155833338

IUPAC[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3OS2.C2HF3O2/c1-14-2-3-15(24-14)10-20-7-4-18(5-8-20)6-9-21(12-18)17(22)16-11-23-13-19-16;3-2(4,5)1(6)7/h2-3,11,13H,4-10,12H2,1H3;(H,6,7)
InChIKeyDBKHGPYALTYLEH-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.27
Rot. Bonds3

About [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid

[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155833338) has the molecular formula C20H24F3N3O3S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155833338
Molecular FormulaC20H24F3N3O3S2
Molecular Weight475.56 g/mol
Exact Mass475.12
IUPAC Name[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3OS2.C2HF3O2/c1-14-2-3-15(24-14)10-20-7-4-18(5-8-20)6-9-21(12-18)17(22)16-11-23-13-19-16;3-2(4,5)1(6)7/h2-3,11,13H,4-10,12H2,1H3;(H,6,7)
InChIKeyDBKHGPYALTYLEH-UHFFFAOYSA-N
XLogP4.27
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-({5-[1-(1,3-Thiazol-4-ylcarbonyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)thiomorpholine
CID 45244037
[2-[(5-Methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97369833
1,3-Thiazol-4-yl-[8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 97369931
[2-[(5-Methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744179
1,3-Thiazol-4-yl-[8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745455
2-[(2,5-Difluorophenyl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 177117709
1-(2-Thiophen-2-yl-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121651614
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 128974460
[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-yl)methanone
CID 131691279
(1,1,2,2-Tetrafluoro-6-azaspiro[2.5]octan-6-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 145909274
N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154886933
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155824780

Frequently Asked Questions

What is the IUPAC name of [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid (CID 155833338) is [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)s1.O=C(O)C(F)(F)F.
What is the InChIKey of [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is DBKHGPYALTYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2.C2HF3O2/c1-14-2-3-15(24-14)10-20-7-4-18(5-8-20)6-9-21(12-18)17(22)16-11-23-13-19-16;3-2(4,5)1(6)7/h2-3,11,13H,4-10,12H2,1H3;(H,6,7).
What are the key properties of [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
[8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 475.56 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).