2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

C19H24F3N5O3S — CID 118744535

IUPAC2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CCN(Cc4nccs4)CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5OS.C2HF3O2/c1-23-15-10-14(19-13-20-15)22-8-4-17(12-22)2-6-21(7-3-17)11-16-18-5-9-24-16;3-2(4,5)1(6)7/h5,9-10,13H,2-4,6-8,11-12H2,1H3;(H,6,7)
InChIKeyKFFSQBSHJXJDJO-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.07
Rot. Bonds4

About 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 118744535) has the molecular formula C19H24F3N5O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID118744535
Molecular FormulaC19H24F3N5O3S
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC Name2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CCN(Cc4nccs4)CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5OS.C2HF3O2/c1-23-15-10-14(19-13-20-15)22-8-4-17(12-22)2-6-21(7-3-17)11-16-18-5-9-24-16;3-2(4,5)1(6)7/h5,9-10,13H,2-4,6-8,11-12H2,1H3;(H,6,7)
InChIKeyKFFSQBSHJXJDJO-UHFFFAOYSA-N
XLogP3.07
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 118744535) is 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is COc1cc(N2CCC3(CCN(Cc4nccs4)CC3)C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is KFFSQBSHJXJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS.C2HF3O2/c1-23-15-10-14(19-13-20-15)22-8-4-17(12-22)2-6-21(7-3-17)11-16-18-5-9-24-16;3-2(4,5)1(6)7/h5,9-10,13H,2-4,6-8,11-12H2,1H3;(H,6,7).
What are the key properties of 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 459.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).