N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

C21H28N4O2S — CID 162650153

IUPACN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(COc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C21H28N4O2S/c1-14-6-18(7-15(2)23-14)27-12-17-8-21(9-17)4-5-25(13-21)11-19-10-22-20(28-19)24-16(3)26/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,22,24,26)
InChIKeyVTIKXOJXQCPCCT-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.79
Rot. Bonds6

About N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162650153) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID162650153
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(COc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C21H28N4O2S/c1-14-6-18(7-15(2)23-14)27-12-17-8-21(9-17)4-5-25(13-21)11-19-10-22-20(28-19)24-16(3)26/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,22,24,26)
InChIKeyVTIKXOJXQCPCCT-UHFFFAOYSA-N
XLogP3.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[[2-(2-methoxy-6-methyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301960
N-[5-[[(3S,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650547
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661540
N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162669885
N-[5-[[(3R,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162674595
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
N-(5-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridyl]oxy]butanamide
CID 155521580
N-[5-[[4-methoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377614
N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377615
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-phenylmethoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377616
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377619
US20240308995, Example 1-52
CID 146448588

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162650153) is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC(COc4cc(C)nc(C)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VTIKXOJXQCPCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-14-6-18(7-15(2)23-14)27-12-17-8-21(9-17)4-5-25(13-21)11-19-10-22-20(28-19)24-16(3)26/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,22,24,26).
What are the key properties of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162650153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).