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

C20H26N4O3S — CID 162650547

IUPACN-[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
SMILESCC(=O)Nc1ncc(CN2CC[C@]3(C[C@H](Oc4cc(C)nc(C)c4)CO3)C2)s1
InChIInChI=1S/C20H26N4O3S/c1-13-6-16(7-14(2)22-13)27-17-8-20(26-11-17)4-5-24(12-20)10-18-9-21-19(28-18)23-15(3)25/h6-7,9,17H,4-5,8,10-12H2,1-3H3,(H,21,23,25)/t17-,20-/m0/s1
InChIKeyXATWVFLWANERHD-PXNSSMCTSA-N
MW402.52 g/mol
LogP2.93
Rot. Bonds5

About 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

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 (PubChem CID 162650547) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162650547
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[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
SMILESCC(=O)Nc1ncc(CN2CC[C@]3(C[C@H](Oc4cc(C)nc(C)c4)CO3)C2)s1
InChIInChI=1S/C20H26N4O3S/c1-13-6-16(7-14(2)22-13)27-17-8-20(26-11-17)4-5-24(12-20)10-18-9-21-19(28-18)23-15(3)25/h6-7,9,17H,4-5,8,10-12H2,1-3H3,(H,21,23,25)/t17-,20-/m0/s1
InChIKeyXATWVFLWANERHD-PXNSSMCTSA-N
XLogP2.93
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-[[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-[[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
US20240308995, Example 1-114
CID 148441798
US20240308995, Example 1-51
CID 149090854

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ncc(CN2CC[C@]3(C[C@H](Oc4cc(C)nc(C)c4)CO3)C2)s1.
What is the InChIKey of 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?
The InChIKey is XATWVFLWANERHD-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13-6-16(7-14(2)22-13)27-17-8-20(26-11-17)4-5-24(12-20)10-18-9-21-19(28-18)23-15(3)25/h6-7,9,17H,4-5,8,10-12H2,1-3H3,(H,21,23,25)/t17-,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 402.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162650547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).