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

C20H26N4O2S — CID 162661540

IUPACN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(Oc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-6-16(7-14(2)22-13)26-17-8-20(9-17)4-5-24(12-20)11-18-10-21-19(27-18)23-15(3)25/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,21,23,25)
InChIKeyMNTURUUMEWHOLT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.55
Rot. Bonds5

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

N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162661540) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-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)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID162661540
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(Oc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-6-16(7-14(2)22-13)26-17-8-20(9-17)4-5-24(12-20)11-18-10-21-19(27-18)23-15(3)25/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,21,23,25)
InChIKeyMNTURUUMEWHOLT-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650153
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-[[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
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-48
CID 146448601
US20240308995, Example 1-6
CID 147474976

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-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)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162661540) is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-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)oxy]-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)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC(Oc4cc(C)nc(C)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MNTURUUMEWHOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-6-16(7-14(2)22-13)26-17-8-20(9-17)4-5-24(12-20)11-18-10-21-19(27-18)23-15(3)25/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,21,23,25).
What are the key properties of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.55, 5 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)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162661540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).